Registration Dossier

Identification

Chemical structure
Display Name:
Hydrocarbons, C7, n-alkanes, isoalkanes, cyclics
EC Number:
927-510-4
CAS Number:
64742-49-0
Molecular formula:
none available - not a single isomer - see remarks
IUPAC Name:
Hydrocarbons, C7, n-alkanes, isoalkanes, cyclics

Type of Substance

Composition:
UVCB
Origin:
petroleum product

Substance Identifiers open all close all

  • 927-510-4
  • 142-82-5
  • 426260-76-6
  • 64742-49-0
  • Heptane (19043), CITGO® Material Code No.:19043, Petroleum hydrocarbon solvent, Commercial Heptane; C7-rich Solvent;
  • Nessol LIAV 110
  • Not Applicable
  • Compositions

    Boundary Composition(s)

    Legal Entity Composition(s) open all close all

    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    2-methylhexane
    EC Number:
    209-730-6
    EC Name:
    2-methylhexane
    CAS Number:
    591-76-4
    Molecular formula:
    C7H16
    IUPAC Name:
    2-methylhexane
    Constituent 2
    Chemical structure
    Reference substance name:
    3-methylhexane
    EC Number:
    209-643-3
    EC Name:
    3-methylhexane
    CAS Number:
    589-34-4
    Molecular formula:
    C7H16
    IUPAC Name:
    3-methylhexane
    Constituent 3
    Chemical structure
    Reference substance name:
    Heptane
    EC Number:
    205-563-8
    EC Name:
    Heptane
    CAS Number:
    142-82-5
    Molecular formula:
    C7H16
    IUPAC Name:
    Heptane
    Constituent 4
    Chemical structure
    Reference substance name:
    Methylcyclohexane
    EC Number:
    203-624-3
    EC Name:
    Methylcyclohexane
    CAS Number:
    108-87-2
    Molecular formula:
    C7H14
    IUPAC Name:
    methylcyclohexane
    Constituent 5
    Reference substance name:
    Other constituents of a uvcb
    IUPAC Name:
    Other constituents of a uvcb
    State Form:
    liquid


    Constituent 1
    Reference substance name:
    C7-C8 Isoparaffins
    IUPAC Name:
    C7-C8 Isoparaffins
    Constituent 2
    Chemical structure
    Reference substance name:
    Heptane
    EC Number:
    205-563-8
    EC Name:
    Heptane
    CAS Number:
    142-82-5
    Molecular formula:
    C7H16
    IUPAC Name:
    Heptane
    Constituent 3
    Reference substance name:
    C7 Naphthenes
    IUPAC Name:
    C7 Naphthenes
    Constituent 4
    Reference substance name:
    C7 Aromatics
    IUPAC Name:
    C7 Aromatics
    Constituent 5
    Reference substance name:
    C7 Olefins
    IUPAC Name:
    C7 Olefins
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Heptane
    EC Number:
    205-563-8
    EC Name:
    Heptane
    CAS Number:
    142-82-5
    Molecular formula:
    C7H16
    IUPAC Name:
    Heptane
    Constituent 2
    Chemical structure
    Reference substance name:
    Hydrocarbons, C7, isoalkanes
    Molecular formula:
    C7H16
    IUPAC Name:
    Hydrocarbons, C7, isoalkanes
    Constituent 3
    Chemical structure
    Reference substance name:
    Hydrocarbons, C7, cyclics
    Molecular formula:
    C7H14
    IUPAC Name:
    Hydrocarbons, C7, cyclics
    Constituent 4
    Chemical structure
    Reference substance name:
    Hydrocarbons, C8, isoalkanes
    Molecular formula:
    C8H18
    IUPAC Name:
    Hydrocarbons, C8, isoalkanes
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Heptane
    EC Number:
    205-563-8
    EC Name:
    Heptane
    CAS Number:
    142-82-5
    Molecular formula:
    C7H16
    IUPAC Name:
    Heptane
    Constituent 2
    Chemical structure
    Reference substance name:
    3-methylhexane
    EC Number:
    209-643-3
    EC Name:
    3-methylhexane
    CAS Number:
    589-34-4
    Molecular formula:
    C7H16
    IUPAC Name:
    3-methylhexane
    Constituent 3
    Chemical structure
    Reference substance name:
    2-methylhexane
    EC Number:
    209-730-6
    EC Name:
    2-methylhexane
    CAS Number:
    591-76-4
    Molecular formula:
    C7H16
    IUPAC Name:
    2-methylhexane
    Constituent 4
    Chemical structure
    Reference substance name:
    Methylcyclohexane
    EC Number:
    203-624-3
    EC Name:
    Methylcyclohexane
    CAS Number:
    108-87-2
    Molecular formula:
    C7H14
    IUPAC Name:
    methylcyclohexane
    Constituent 5
    Chemical structure
    Reference substance name:
    2,3-dimethylpentane
    EC Number:
    209-280-0
    EC Name:
    2,3-dimethylpentane
    CAS Number:
    565-59-3
    Molecular formula:
    C7H16
    IUPAC Name:
    2,3-dimethylpentane
    Constituent 6
    Chemical structure
    Reference substance name:
    3-ethylpentane
    EC Number:
    210-529-0
    EC Name:
    3-ethylpentane
    CAS Number:
    617-78-7
    Molecular formula:
    C7H16
    IUPAC Name:
    3-ethylpentane
    Constituent 7
    Chemical structure
    Reference substance name:
    1,2-dimethylcyclopentane
    EC Number:
    219-520-6
    EC Name:
    1,2-dimethylcyclopentane
    CAS Number:
    2452-99-5
    Molecular formula:
    C7H14
    IUPAC Name:
    1,2-dimethylcyclopentane
    Constituent 8
    Chemical structure
    Reference substance name:
    Ethylcyclopentane
    EC Number:
    216-686-1
    EC Name:
    Ethylcyclopentane
    CAS Number:
    1640-89-7
    Molecular formula:
    C7H14
    IUPAC Name:
    ethylcyclopentane
    Constituent 9
    Chemical structure
    Reference substance name:
    1,3-dimethylcyclopentane
    EC Number:
    219-521-1
    EC Name:
    1,3-dimethylcyclopentane
    CAS Number:
    2453-00-1
    Molecular formula:
    C7H14
    IUPAC Name:
    1,3-dimethylcyclopentane
    Constituent 10
    Chemical structure
    Reference substance name:
    2,5-dimethylhexane
    EC Number:
    209-745-8
    EC Name:
    2,5-dimethylhexane
    CAS Number:
    592-13-2
    Molecular formula:
    C8H18
    IUPAC Name:
    2,5-dimethylhexane
    Constituent 11
    Chemical structure
    Reference substance name:
    3,3-dimethylpentane
    EC Number:
    209-230-8
    EC Name:
    3,3-dimethylpentane
    CAS Number:
    562-49-2
    Molecular formula:
    C7H16
    IUPAC Name:
    3,3-dimethylpentane
    Constituent 12
    Chemical structure
    Reference substance name:
    2,2-dimethylhexane
    EC Number:
    209-689-4
    EC Name:
    2,2-dimethylhexane
    CAS Number:
    590-73-8
    Molecular formula:
    C8H18
    IUPAC Name:
    2,2-dimethylhexane
    Constituent 13
    Chemical structure
    Reference substance name:
    2,4-dimethylpentane
    EC Number:
    203-548-0
    EC Name:
    2,4-dimethylpentane
    CAS Number:
    108-08-7
    Molecular formula:
    C7H16
    IUPAC Name:
    2,4-dimethylpentane
    Constituent 14
    Chemical structure
    Reference substance name:
    1,1-dimethylcyclopentane
    EC Number:
    216-673-0
    EC Name:
    1,1-dimethylcyclopentane
    CAS Number:
    1638-26-2
    Molecular formula:
    C7H14
    IUPAC Name:
    1,1-dimethylcyclopentane
    Constituent 15
    Chemical structure
    Reference substance name:
    2,2-dimethylpentane
    EC Number:
    209-680-5
    EC Name:
    2,2-dimethylpentane
    CAS Number:
    590-35-2
    Molecular formula:
    C7H16
    IUPAC Name:
    2,2-dimethylpentane
    Constituent 16
    Chemical structure
    Reference substance name:
    1,2,4-trimethylcyclopentane
    EC Number:
    220-564-3
    EC Name:
    1,2,4-trimethylcyclopentane
    CAS Number:
    2815-58-9
    Molecular formula:
    C8H16
    IUPAC Name:
    1,2,4-trimethylcyclopentane
    Constituent 17
    Chemical structure
    Reference substance name:
    Norbornane
    EC Number:
    205-996-2
    EC Name:
    Norbornane
    CAS Number:
    279-23-2
    Molecular formula:
    C7H12
    IUPAC Name:
    bicyclo[2.2.1]heptane
    Constituent 18
    Chemical structure
    Reference substance name:
    2-methylheptane
    EC Number:
    209-747-9
    EC Name:
    2-methylheptane
    CAS Number:
    592-27-8
    Molecular formula:
    C8H18
    IUPAC Name:
    2-methylheptane
    Constituent 19
    Chemical structure
    Reference substance name:
    3-methylheptane
    EC Number:
    209-660-6
    EC Name:
    3-methylheptane
    CAS Number:
    589-81-1
    Molecular formula:
    C8H18
    IUPAC Name:
    3-methylheptane
    Constituent 20
    Chemical structure
    Reference substance name:
    1,2,3-trimethylcyclopentane
    CAS Number:
    15890-40-1
    Molecular formula:
    C₈H₁₆
    IUPAC Name:
    1,2,3-trimethylcyclopentane
    Constituent 21
    Chemical structure
    Reference substance name:
    2,2,3-trimethylbutane
    EC Number:
    207-346-3
    EC Name:
    2,2,3-trimethylbutane
    CAS Number:
    464-06-2
    Molecular formula:
    C7H16
    IUPAC Name:
    2,2,3-trimethylbutane
    Constituent 22
    Chemical structure
    Reference substance name:
    2,3-dimethylheptane
    CAS Number:
    3074-71-3
    Molecular formula:
    C9H20
    IUPAC Name:
    2,3-dimethylheptane
    Constituent 23
    Chemical structure
    Reference substance name:
    2-ethylhexan-1-ol
    EC Number:
    203-234-3
    EC Name:
    2-ethylhexan-1-ol
    CAS Number:
    104-76-7
    Molecular formula:
    C8H18O
    IUPAC Name:
    2-ethylhexan-1-ol
    Constituent 24
    Chemical structure
    Reference substance name:
    3-ethylhexane
    EC Number:
    210-621-0
    EC Name:
    3-ethylhexane
    CAS Number:
    619-99-8
    Molecular formula:
    C8H18
    IUPAC Name:
    3-ethylhexane
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Heptane
    EC Number:
    205-563-8
    EC Name:
    Heptane
    CAS Number:
    142-82-5
    Molecular formula:
    C7H16
    IUPAC Name:
    Heptane
    Constituent 2
    Reference substance name:
    C7 isoalkanes
    Molecular formula:
    C7H16
    IUPAC Name:
    C7 isoalkanes
    Constituent 3
    Reference substance name:
    C7 cycloalkanes
    IUPAC Name:
    C7 cycloalkanes
    Constituent 4
    Reference substance name:
    C6 n-alkanes, isoalkanes, cyclics
    IUPAC Name:
    C6 n-alkanes, isoalkanes, cyclics
    Constituent 5
    Reference substance name:
    C8 n-alkanes, iso-alkanes, cyclics
    IUPAC Name:
    C8 n-alkanes, iso-alkanes, cyclics
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Heptane
    EC Number:
    205-563-8
    EC Name:
    Heptane
    CAS Number:
    142-82-5
    Molecular formula:
    C7H16
    IUPAC Name:
    Heptane
    Constituent 2
    Chemical structure
    Reference substance name:
    Methylcyclohexane
    EC Number:
    203-624-3
    EC Name:
    Methylcyclohexane
    CAS Number:
    108-87-2
    Molecular formula:
    C7H14
    IUPAC Name:
    methylcyclohexane
    Constituent 3
    Chemical structure
    Reference substance name:
    3-methylhexane
    EC Number:
    209-643-3
    EC Name:
    3-methylhexane
    CAS Number:
    589-34-4
    Molecular formula:
    C7H16
    IUPAC Name:
    3-methylhexane
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Isoheptane
    EC Number:
    250-610-8
    EC Name:
    Isoheptane
    CAS Number:
    31394-54-4
    Molecular formula:
    C7H16
    IUPAC Name:
    2-methylhexane
    Constituent 2
    Chemical structure
    Reference substance name:
    Heptane
    EC Number:
    205-563-8
    EC Name:
    Heptane
    CAS Number:
    142-82-5
    Molecular formula:
    C7H16
    IUPAC Name:
    Heptane
    Constituent 3
    Chemical structure
    Reference substance name:
    2,3-dimethylpentane
    EC Number:
    209-280-0
    EC Name:
    2,3-dimethylpentane
    CAS Number:
    565-59-3
    Molecular formula:
    C7H16
    IUPAC Name:
    2,3-dimethylpentane
    Constituent 4
    Chemical structure
    Reference substance name:
    4-methylhept-1-ene
    Molecular formula:
    C8H16
    IUPAC Name:
    4-methylhept-1-ene
    Constituent 5
    Chemical structure
    Reference substance name:
    3,3-dimethylpentane
    EC Number:
    209-230-8
    EC Name:
    3,3-dimethylpentane
    CAS Number:
    562-49-2
    Molecular formula:
    C7H16
    IUPAC Name:
    3,3-dimethylpentane
    Constituent 6
    Chemical structure
    Reference substance name:
    1,3-dimethylcyclopentane
    EC Number:
    219-521-1
    EC Name:
    1,3-dimethylcyclopentane
    CAS Number:
    2453-00-1
    Molecular formula:
    C7H14
    IUPAC Name:
    1,3-dimethylcyclopentane
    Constituent 7
    Chemical structure
    Reference substance name:
    2,4-dimethylpentane
    EC Number:
    203-548-0
    EC Name:
    2,4-dimethylpentane
    CAS Number:
    108-08-7
    Molecular formula:
    C7H16
    IUPAC Name:
    2,4-dimethylpentane
    Constituent 8
    Chemical structure
    Reference substance name:
    Methylcyclohexane
    EC Number:
    203-624-3
    EC Name:
    Methylcyclohexane
    CAS Number:
    108-87-2
    Molecular formula:
    C7H14
    IUPAC Name:
    methylcyclohexane
    Constituent 9
    Chemical structure
    Reference substance name:
    2,2-dimethylpentane
    EC Number:
    209-680-5
    EC Name:
    2,2-dimethylpentane
    CAS Number:
    590-35-2
    Molecular formula:
    C7H16
    IUPAC Name:
    2,2-dimethylpentane
    Constituent 10
    Chemical structure
    Reference substance name:
    Methylcyclopentane
    EC Number:
    202-503-2
    EC Name:
    Methylcyclopentane
    CAS Number:
    96-37-7
    Molecular formula:
    C6H12
    IUPAC Name:
    methylcyclopentane
    Constituent 11
    Chemical structure
    Reference substance name:
    N-hexane
    EC Number:
    203-777-6
    EC Name:
    N-hexane
    CAS Number:
    110-54-3
    Molecular formula:
    C6H14
    IUPAC Name:
    hexane
    Constituent 12
    Chemical structure
    Reference substance name:
    Ethylcyclopentane
    EC Number:
    216-686-1
    EC Name:
    Ethylcyclopentane
    CAS Number:
    1640-89-7
    Molecular formula:
    C7H14
    IUPAC Name:
    ethylcyclopentane
    Constituent 13
    Chemical structure
    Reference substance name:
    2,4-dimethylhexane
    EC Number:
    209-649-6
    EC Name:
    2,4-dimethylhexane
    CAS Number:
    589-43-5
    Molecular formula:
    C8H18
    IUPAC Name:
    2,4-dimethylhexane
    Constituent 14
    Chemical structure
    Reference substance name:
    2-methylpentane
    EC Number:
    203-523-4
    EC Name:
    2-methylpentane
    CAS Number:
    107-83-5
    Molecular formula:
    C6H14
    IUPAC Name:
    2-methylpentane
    Constituent 15
    Chemical structure
    Reference substance name:
    3-methylpentane
    EC Number:
    202-481-4
    EC Name:
    3-methylpentane
    CAS Number:
    96-14-0
    Molecular formula:
    C6H14
    IUPAC Name:
    3-methylpentane
    Constituent 16
    Chemical structure
    Reference substance name:
    2,2,3-trimethylbutane
    EC Number:
    207-346-3
    EC Name:
    2,2,3-trimethylbutane
    CAS Number:
    464-06-2
    Molecular formula:
    C7H16
    IUPAC Name:
    2,2,3-trimethylbutane
    Constituent 17
    Chemical structure
    Reference substance name:
    2,2,3,3-tetramethylbutane
    EC Number:
    209-855-6
    EC Name:
    2,2,3,3-tetramethylbutane
    CAS Number:
    594-82-1
    Molecular formula:
    C8H18
    IUPAC Name:
    2,2,3,3-tetramethylbutane
    Constituent 18
    Chemical structure
    Reference substance name:
    2,5-dimethylhexane
    EC Number:
    209-745-8
    EC Name:
    2,5-dimethylhexane
    CAS Number:
    592-13-2
    Molecular formula:
    C8H18
    IUPAC Name:
    2,5-dimethylhexane
    Constituent 19
    Chemical structure
    Reference substance name:
    3-ethyl-2-methylpentane
    EC Number:
    210-187-2
    EC Name:
    3-ethyl-2-methylpentane
    CAS Number:
    609-26-7
    Molecular formula:
    C8H18
    IUPAC Name:
    3-ethyl-2-methylpentane
    Constituent 20
    Chemical structure
    Reference substance name:
    2,3-dimethylhexane
    EC Number:
    209-547-1
    EC Name:
    2,3-dimethylhexane
    CAS Number:
    584-94-1
    Molecular formula:
    C8H18
    IUPAC Name:
    2,3-dimethylhexane
    Constituent 21
    Chemical structure
    Reference substance name:
    2-methylheptane
    EC Number:
    209-747-9
    EC Name:
    2-methylheptane
    CAS Number:
    592-27-8
    Molecular formula:
    C8H18
    IUPAC Name:
    2-methylheptane
    Constituent 22
    Chemical structure
    Reference substance name:
    4-methylheptane
    EC Number:
    209-650-1
    EC Name:
    4-methylheptane
    CAS Number:
    589-53-7
    Molecular formula:
    C8H18
    IUPAC Name:
    4-methylheptane
    Constituent 23
    Chemical structure
    Reference substance name:
    3-methylheptane
    EC Number:
    209-660-6
    EC Name:
    3-methylheptane
    CAS Number:
    589-81-1
    Molecular formula:
    C8H18
    IUPAC Name:
    3-methylheptane
    Constituent 24
    Reference substance name:
    Unidentified components of UVCB substance
    IUPAC Name:
    Unidentified components of UVCB substance
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Heptane
    EC Number:
    205-563-8
    EC Name:
    Heptane
    CAS Number:
    142-82-5
    Molecular formula:
    C7H16
    IUPAC Name:
    Heptane
    Constituent 2
    Chemical structure
    Reference substance name:
    2-methylhexane
    EC Number:
    209-730-6
    EC Name:
    2-methylhexane
    CAS Number:
    591-76-4
    Molecular formula:
    C7H16
    IUPAC Name:
    2-methylhexane
    Constituent 3
    Chemical structure
    Reference substance name:
    2,3-dimethylpentane
    EC Number:
    209-280-0
    EC Name:
    2,3-dimethylpentane
    CAS Number:
    565-59-3
    Molecular formula:
    C7H16
    IUPAC Name:
    2,3-dimethylpentane
    Constituent 4
    Chemical structure
    Reference substance name:
    3-ethylpentane
    EC Number:
    210-529-0
    EC Name:
    3-ethylpentane
    CAS Number:
    617-78-7
    Molecular formula:
    C7H16
    IUPAC Name:
    3-ethylpentane
    Constituent 5
    Chemical structure
    Reference substance name:
    3-methylhexane
    EC Number:
    209-643-3
    EC Name:
    3-methylhexane
    CAS Number:
    589-34-4
    Molecular formula:
    C7H16
    IUPAC Name:
    3-methylhexane
    Constituent 6
    Chemical structure
    Reference substance name:
    2,5-dimethylhexane
    EC Number:
    209-745-8
    EC Name:
    2,5-dimethylhexane
    CAS Number:
    592-13-2
    Molecular formula:
    C8H18
    IUPAC Name:
    2,5-dimethylhexane
    Constituent 7
    Chemical structure
    Reference substance name:
    N-(carboxymethyl)-N-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)glycine
    EC Number:
    235-941-8
    EC Name:
    N-(carboxymethyl)-N-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)glycine
    CAS Number:
    13055-06-6
    Molecular formula:
    C8H9N3O7
    IUPAC Name:
    2-[carboxymethyl-(2,4,6-trioxo-1,3-diazinan-5-yl)amino]acetic acid
    Constituent 8
    Chemical structure
    Reference substance name:
    Butanone
    EC Number:
    201-159-0
    EC Name:
    Butanone
    CAS Number:
    78-93-3
    Molecular formula:
    C4H8O
    IUPAC Name:
    Butanone
    Constituent 9
    Chemical structure
    Reference substance name:
    Methylcyclohexane
    EC Number:
    203-624-3
    EC Name:
    Methylcyclohexane
    CAS Number:
    108-87-2
    Molecular formula:
    C7H14
    IUPAC Name:
    methylcyclohexane
    Constituent 10
    Chemical structure
    Reference substance name:
    1,2-dimethylcyclopentane
    EC Number:
    219-520-6
    EC Name:
    1,2-dimethylcyclopentane
    CAS Number:
    2452-99-5
    Molecular formula:
    C7H14
    IUPAC Name:
    1,2-dimethylcyclopentane
    Constituent 11
    Chemical structure
    Reference substance name:
    3,3-dimethylpentane
    EC Number:
    209-230-8
    EC Name:
    3,3-dimethylpentane
    CAS Number:
    562-49-2
    Molecular formula:
    C7H16
    IUPAC Name:
    3,3-dimethylpentane
    Constituent 12
    Chemical structure
    Reference substance name:
    2,2,4,4-Tetramethylpentane
    CAS Number:
    1070-87-7
    Molecular formula:
    C9H20
    IUPAC Name:
    2,2,4,4-Tetramethylpentane
    Constituent 13
    Chemical structure
    Reference substance name:
    Acetone
    EC Number:
    200-662-2
    EC Name:
    Acetone
    CAS Number:
    67-64-1
    Molecular formula:
    C3H6O
    IUPAC Name:
    acetone
    Constituent 14
    Chemical structure
    Reference substance name:
    2,5-dimethylfuran
    EC Number:
    210-914-3
    EC Name:
    2,5-dimethylfuran
    CAS Number:
    625-86-5
    Molecular formula:
    C6H8O
    IUPAC Name:
    2,5-Dimethylfuran
    Constituent 15
    Chemical structure
    Reference substance name:
    Toluene
    EC Number:
    203-625-9
    EC Name:
    Toluene
    CAS Number:
    108-88-3
    Molecular formula:
    C7H8
    IUPAC Name:
    toluene
    Constituent 16
    Chemical structure
    Reference substance name:
    Ethylcyclopentane
    EC Number:
    216-686-1
    EC Name:
    Ethylcyclopentane
    CAS Number:
    1640-89-7
    Molecular formula:
    C7H14
    IUPAC Name:
    ethylcyclopentane
    Constituent 17
    Chemical structure
    Reference substance name:
    3,4-dimethylhexane
    EC Number:
    209-504-7
    EC Name:
    3,4-dimethylhexane
    CAS Number:
    583-48-2
    Molecular formula:
    C8H18
    IUPAC Name:
    3,4-Dimethylhexane
    Constituent 18
    Chemical structure
    Reference substance name:
    Pyruvic acid
    EC Number:
    204-824-3
    EC Name:
    Pyruvic acid
    CAS Number:
    127-17-3
    Molecular formula:
    C3H4O3
    IUPAC Name:
    2-Oxopropanoic acid
    Constituent 19
    Chemical structure
    Reference substance name:
    pent-4-en-2-one
    CAS Number:
    13891-87-7
    Molecular formula:
    C5H8O
    IUPAC Name:
    pent-4-en-2-one
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Hydrocarbons, C7, n-alkanes, isoalkanes, cyclics
    EC Number:
    927-510-4
    CAS Number:
    64742-49-0
    Molecular formula:
    none available - not a single isomer - see remarks
    IUPAC Name:
    Hydrocarbons, C7, n-alkanes, isoalkanes, cyclics
    Constituent 2
    Reference substance name:
    Unknown constituents
    IUPAC Name:
    Unknown constituents
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Heptane
    EC Number:
    205-563-8
    EC Name:
    Heptane
    CAS Number:
    142-82-5
    Molecular formula:
    C7H16
    IUPAC Name:
    Heptane
    Constituent 2
    Chemical structure
    Reference substance name:
    3-methylhexane
    EC Number:
    209-643-3
    EC Name:
    3-methylhexane
    CAS Number:
    589-34-4
    Molecular formula:
    C7H16
    IUPAC Name:
    3-methylhexane
    Constituent 3
    Chemical structure
    Reference substance name:
    2-methylhexane
    EC Number:
    209-730-6
    EC Name:
    2-methylhexane
    CAS Number:
    591-76-4
    Molecular formula:
    C7H16
    IUPAC Name:
    2-methylhexane
    Constituent 4
    Chemical structure
    Reference substance name:
    2,3-dimethylpentane
    EC Number:
    209-280-0
    EC Name:
    2,3-dimethylpentane
    CAS Number:
    565-59-3
    Molecular formula:
    C7H16
    IUPAC Name:
    2,3-dimethylpentane
    Constituent 5
    Chemical structure
    Reference substance name:
    1,3-dimethylcyclopentane
    EC Number:
    219-521-1
    EC Name:
    1,3-dimethylcyclopentane
    CAS Number:
    2453-00-1
    Molecular formula:
    C7H14
    IUPAC Name:
    1,3-dimethylcyclopentane
    Constituent 6
    Chemical structure
    Reference substance name:
    3-ethylpentane
    EC Number:
    210-529-0
    EC Name:
    3-ethylpentane
    CAS Number:
    617-78-7
    Molecular formula:
    C7H16
    IUPAC Name:
    3-ethylpentane
    Constituent 7
    Chemical structure
    Reference substance name:
    Methylcyclohexane
    EC Number:
    203-624-3
    EC Name:
    Methylcyclohexane
    CAS Number:
    108-87-2
    Molecular formula:
    C7H14
    IUPAC Name:
    methylcyclohexane
    Constituent 8
    Chemical structure
    Reference substance name:
    Ethylcyclopentane
    EC Number:
    216-686-1
    EC Name:
    Ethylcyclopentane
    CAS Number:
    1640-89-7
    Molecular formula:
    C7H14
    IUPAC Name:
    ethylcyclopentane
    Constituent 9
    Chemical structure
    Reference substance name:
    3,3-dimethylpentane
    EC Number:
    209-230-8
    EC Name:
    3,3-dimethylpentane
    CAS Number:
    562-49-2
    Molecular formula:
    C7H16
    IUPAC Name:
    3,3-dimethylpentane
    Constituent 10
    Chemical structure
    Reference substance name:
    2,4-dimethylpentane
    EC Number:
    203-548-0
    EC Name:
    2,4-dimethylpentane
    CAS Number:
    108-08-7
    Molecular formula:
    C7H16
    IUPAC Name:
    2,4-dimethylpentane
    Constituent 11
    Chemical structure
    Reference substance name:
    2,2-dimethylpentane
    EC Number:
    209-680-5
    EC Name:
    2,2-dimethylpentane
    CAS Number:
    590-35-2
    Molecular formula:
    C7H16
    IUPAC Name:
    2,2-dimethylpentane
    Constituent 12
    Reference substance name:
    Unknown components
    Molecular formula:
    C7Hn isomers
    IUPAC Name:
    Unknown components
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Methylcyclohexane
    EC Number:
    203-624-3
    EC Name:
    Methylcyclohexane
    CAS Number:
    108-87-2
    Molecular formula:
    C7H14
    IUPAC Name:
    methylcyclohexane
    Constituent 2
    Chemical structure
    Reference substance name:
    2-methylhexane
    EC Number:
    209-730-6
    EC Name:
    2-methylhexane
    CAS Number:
    591-76-4
    Molecular formula:
    C7H16
    IUPAC Name:
    2-methylhexane
    Constituent 3
    Chemical structure
    Reference substance name:
    3-methylhexane
    EC Number:
    209-643-3
    EC Name:
    3-methylhexane
    CAS Number:
    589-34-4
    Molecular formula:
    C7H16
    IUPAC Name:
    3-methylhexane
    Constituent 4
    Chemical structure
    Reference substance name:
    3-ethylpentane
    EC Number:
    210-529-0
    EC Name:
    3-ethylpentane
    CAS Number:
    617-78-7
    Molecular formula:
    C7H16
    IUPAC Name:
    3-ethylpentane
    Constituent 5
    Chemical structure
    Reference substance name:
    3,3-dimethylpentane
    EC Number:
    209-230-8
    EC Name:
    3,3-dimethylpentane
    CAS Number:
    562-49-2
    Molecular formula:
    C7H16
    IUPAC Name:
    3,3-dimethylpentane
    Constituent 6
    Chemical structure
    Reference substance name:
    2,3-dimethylpentane
    EC Number:
    209-280-0
    EC Name:
    2,3-dimethylpentane
    CAS Number:
    565-59-3
    Molecular formula:
    C7H16
    IUPAC Name:
    2,3-dimethylpentane
    Constituent 7
    Reference substance name:
    C7 cycloalkanes
    Molecular formula:
    C7H14
    IUPAC Name:
    C7 cycloalkanes
    Constituent 8
    Reference substance name:
    C7 isoalkanes
    Molecular formula:
    C7H16
    IUPAC Name:
    C7 isoalkanes
    Constituent 9
    Chemical structure
    Reference substance name:
    Heptane
    EC Number:
    205-563-8
    EC Name:
    Heptane
    CAS Number:
    142-82-5
    Molecular formula:
    C7H16
    IUPAC Name:
    Heptane
    State Form:
    liquid


    Constituent 1
    Reference substance name:
    C7 n-alkanes
    Molecular formula:
    none available - not a single isomer
    IUPAC Name:
    C7 n-alkanes
    Constituent 2
    Reference substance name:
    C7 isoalkanes
    Molecular formula:
    none available - not a single isomer
    IUPAC Name:
    C7 isoalkanes
    Constituent 3
    Reference substance name:
    C7 cyclics
    Molecular formula:
    none available - not a single isomer
    IUPAC Name:
    C7 cyclics
    Constituent 4
    Reference substance name:
    Total aromatics
    IUPAC Name:
    Total aromatics
    Constituent 5
    Reference substance name:
    <=C(7-1) saturated hydrocarbons
    IUPAC Name:
    <=C(7-1) saturated hydrocarbons
    Constituent 6
    Reference substance name:
    >=C(7+1) saturated hydrocarbons
    Molecular formula:
    none available - not a single isomer
    IUPAC Name:
    >=C(7+1) saturated hydrocarbons
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    3-methylhexane
    EC Number:
    209-643-3
    EC Name:
    3-methylhexane
    CAS Number:
    589-34-4
    Molecular formula:
    C7H16
    IUPAC Name:
    3-methylhexane
    Constituent 2
    Chemical structure
    Reference substance name:
    2-methylhexane
    EC Number:
    209-730-6
    EC Name:
    2-methylhexane
    CAS Number:
    591-76-4
    Molecular formula:
    C7H16
    IUPAC Name:
    2-methylhexane
    Constituent 3
    Chemical structure
    Reference substance name:
    Methylcyclohexane
    EC Number:
    203-624-3
    EC Name:
    Methylcyclohexane
    CAS Number:
    108-87-2
    Molecular formula:
    C7H14
    IUPAC Name:
    methylcyclohexane
    Constituent 4
    Chemical structure
    Reference substance name:
    2,2-dimethylhexane
    EC Number:
    209-689-4
    EC Name:
    2,2-dimethylhexane
    CAS Number:
    590-73-8
    Molecular formula:
    C8H18
    IUPAC Name:
    2,2-dimethylhexane
    Constituent 5
    Chemical structure
    Reference substance name:
    Ethylcyclopentane
    EC Number:
    216-686-1
    EC Name:
    Ethylcyclopentane
    CAS Number:
    1640-89-7
    Molecular formula:
    C7H14
    IUPAC Name:
    ethylcyclopentane
    Constituent 6
    Chemical structure
    Reference substance name:
    2,4-dimethylhexane
    EC Number:
    209-649-6
    EC Name:
    2,4-dimethylhexane
    CAS Number:
    589-43-5
    Molecular formula:
    C8H18
    IUPAC Name:
    2,4-dimethylhexane
    Constituent 7
    Chemical structure
    Reference substance name:
    2,5-dimethylhexane
    EC Number:
    209-745-8
    EC Name:
    2,5-dimethylhexane
    CAS Number:
    592-13-2
    Molecular formula:
    C8H18
    IUPAC Name:
    2,5-dimethylhexane
    Constituent 8
    Chemical structure
    Reference substance name:
    trans-1,2-dimethylcyclopentane
    EC Number:
    212-500-8
    EC Name:
    trans-1,2-dimethylcyclopentane
    CAS Number:
    822-50-4
    Molecular formula:
    C7H14
    IUPAC Name:
    1,2-dimethylcyclopentane
    Constituent 9
    Reference substance name:
    Impurities not relevant for classification
    Molecular formula:
    Impurities not relevant for classification
    IUPAC Name:
    Impurities not relevant for classification
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    2,2-dimethylpentane
    EC Number:
    209-680-5
    EC Name:
    2,2-dimethylpentane
    CAS Number:
    590-35-2
    Molecular formula:
    C7H16
    IUPAC Name:
    2,2-dimethylpentane
    Constituent 2
    Chemical structure
    Reference substance name:
    2,4-dimethylpentane
    EC Number:
    203-548-0
    EC Name:
    2,4-dimethylpentane
    CAS Number:
    108-08-7
    Molecular formula:
    C7H16
    IUPAC Name:
    2,4-dimethylpentane
    Constituent 3
    Chemical structure
    Reference substance name:
    3,3-dimethylpentane
    EC Number:
    209-230-8
    EC Name:
    3,3-dimethylpentane
    CAS Number:
    562-49-2
    Molecular formula:
    C7H16
    IUPAC Name:
    3,3-dimethylpentane
    Constituent 4
    Chemical structure
    Reference substance name:
    Cyclohexane
    EC Number:
    203-806-2
    EC Name:
    Cyclohexane
    CAS Number:
    110-82-7
    Molecular formula:
    C6H12
    IUPAC Name:
    cyclohexane
    Constituent 5
    Chemical structure
    Reference substance name:
    Isoheptane
    EC Number:
    250-610-8
    EC Name:
    Isoheptane
    CAS Number:
    31394-54-4
    Molecular formula:
    C7H16
    IUPAC Name:
    2-methylhexane
    Constituent 6
    Chemical structure
    Reference substance name:
    2,3-dimethylpentane
    EC Number:
    209-280-0
    EC Name:
    2,3-dimethylpentane
    CAS Number:
    565-59-3
    Molecular formula:
    C7H16
    IUPAC Name:
    2,3-dimethylpentane
    Constituent 7
    Chemical structure
    Reference substance name:
    1,1-dimethylcyclopentane
    EC Number:
    216-673-0
    EC Name:
    1,1-dimethylcyclopentane
    CAS Number:
    1638-26-2
    Molecular formula:
    C7H14
    IUPAC Name:
    1,1-dimethylcyclopentane
    Constituent 8
    Chemical structure
    Reference substance name:
    3-methylhexane
    EC Number:
    209-643-3
    EC Name:
    3-methylhexane
    CAS Number:
    589-34-4
    Molecular formula:
    C7H16
    IUPAC Name:
    3-methylhexane
    Constituent 9
    Chemical structure
    Reference substance name:
    trans-1,3-dimethylcyclopentane
    EC Number:
    217-163-0
    EC Name:
    trans-1,3-dimethylcyclopentane
    CAS Number:
    1759-58-6
    Molecular formula:
    C7H14
    IUPAC Name:
    trans-1,3-dimethylcyclopentane
    Constituent 10
    Chemical structure
    Reference substance name:
    cis-1,3-dimethylcyclopentane
    EC Number:
    219-793-1
    EC Name:
    cis-1,3-dimethylcyclopentane
    CAS Number:
    2532-58-3
    Molecular formula:
    C7H14
    IUPAC Name:
    cis-1,3-dimethylcyclopentane
    Constituent 11
    Chemical structure
    Reference substance name:
    3-ethylpentane
    EC Number:
    210-529-0
    EC Name:
    3-ethylpentane
    CAS Number:
    617-78-7
    Molecular formula:
    C7H16
    IUPAC Name:
    3-ethylpentane
    Constituent 12
    Chemical structure
    Reference substance name:
    trans-1,2-dimethylcyclopentane
    EC Number:
    212-500-8
    EC Name:
    trans-1,2-dimethylcyclopentane
    CAS Number:
    822-50-4
    Molecular formula:
    C7H14
    IUPAC Name:
    1,2-dimethylcyclopentane
    Constituent 13
    Chemical structure
    Reference substance name:
    Hept-3-ene
    EC Number:
    209-769-9
    EC Name:
    Hept-3-ene
    CAS Number:
    592-78-9
    Molecular formula:
    C7H14
    IUPAC Name:
    hept-3-ene
    Constituent 14
    Reference substance name:
    C7 naphtheno-olefins
    IUPAC Name:
    C7 naphtheno-olefins
    Constituent 15
    Chemical structure
    Reference substance name:
    Heptane
    EC Number:
    205-563-8
    EC Name:
    Heptane
    CAS Number:
    142-82-5
    Molecular formula:
    C7H16
    IUPAC Name:
    Heptane
    Constituent 16
    Chemical structure
    Reference substance name:
    2-Methyl-2-hexene
    CAS Number:
    2738-19-4
    Molecular formula:
    C7H14
    IUPAC Name:
    2-Methyl-2-hexene
    Constituent 17
    Chemical structure
    Reference substance name:
    3-Methyl-t-hexene-3
    CAS Number:
    3899-36-3
    Molecular formula:
    C7H14
    IUPAC Name:
    3-Methyl-t-hexene-3
    Constituent 18
    Reference substance name:
    3-Methyl-t-hexene-2
    CAS Number:
    20710-38-7
    Molecular formula:
    C7H14
    IUPAC Name:
    3-Methyl-t-hexene-2
    Constituent 19
    Chemical structure
    Reference substance name:
    cis-1,2-dimethylcyclopentane
    EC Number:
    214-748-2
    EC Name:
    cis-1,2-dimethylcyclopentane
    CAS Number:
    1192-18-3
    Molecular formula:
    C7H14
    IUPAC Name:
    cis-1,2-dimethylcyclopentane
    Constituent 20
    Chemical structure
    Reference substance name:
    Methylcyclohexane
    EC Number:
    203-624-3
    EC Name:
    Methylcyclohexane
    CAS Number:
    108-87-2
    Molecular formula:
    C7H14
    IUPAC Name:
    methylcyclohexane
    Constituent 21
    Chemical structure
    Reference substance name:
    Ethylcyclopentane
    EC Number:
    216-686-1
    EC Name:
    Ethylcyclopentane
    CAS Number:
    1640-89-7
    Molecular formula:
    C7H14
    IUPAC Name:
    ethylcyclopentane
    Constituent 22
    Chemical structure
    Reference substance name:
    Toluene
    EC Number:
    203-625-9
    EC Name:
    Toluene
    CAS Number:
    108-88-3
    Molecular formula:
    C7H8
    IUPAC Name:
    toluene
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    2,2,3-trimethylbutane
    EC Number:
    207-346-3
    EC Name:
    2,2,3-trimethylbutane
    CAS Number:
    464-06-2
    Molecular formula:
    C7H16
    IUPAC Name:
    2,2,3-trimethylbutane
    Constituent 2
    Chemical structure
    Reference substance name:
    2,4-dimethylpentane
    EC Number:
    203-548-0
    EC Name:
    2,4-dimethylpentane
    CAS Number:
    108-08-7
    Molecular formula:
    C7H16
    IUPAC Name:
    2,4-dimethylpentane
    Constituent 3
    Chemical structure
    Reference substance name:
    3,3-dimethylpentane
    EC Number:
    209-230-8
    EC Name:
    3,3-dimethylpentane
    CAS Number:
    562-49-2
    Molecular formula:
    C7H16
    IUPAC Name:
    3,3-dimethylpentane
    Constituent 4
    Chemical structure
    Reference substance name:
    2-methylhexane
    EC Number:
    209-730-6
    EC Name:
    2-methylhexane
    CAS Number:
    591-76-4
    Molecular formula:
    C7H16
    IUPAC Name:
    2-methylhexane
    Constituent 5
    Chemical structure
    Reference substance name:
    2,3-dimethylpentane
    EC Number:
    209-280-0
    EC Name:
    2,3-dimethylpentane
    CAS Number:
    565-59-3
    Molecular formula:
    C7H16
    IUPAC Name:
    2,3-dimethylpentane
    Constituent 6
    Chemical structure
    Reference substance name:
    3-methylhexane
    EC Number:
    209-643-3
    EC Name:
    3-methylhexane
    CAS Number:
    589-34-4
    Molecular formula:
    C7H16
    IUPAC Name:
    3-methylhexane
    Constituent 7
    Chemical structure
    Reference substance name:
    Dimethylcyclopentane
    EC Number:
    249-193-5
    EC Name:
    Dimethylcyclopentane
    CAS Number:
    28729-52-4
    Molecular formula:
    C7 H14
    IUPAC Name:
    Cyclopentane, dimethyl-
    Constituent 8
    Chemical structure
    Reference substance name:
    Heptane
    EC Number:
    205-563-8
    EC Name:
    Heptane
    CAS Number:
    142-82-5
    Molecular formula:
    C7H16
    IUPAC Name:
    Heptane
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    2,3-dimethylpentane
    EC Number:
    209-280-0
    EC Name:
    2,3-dimethylpentane
    CAS Number:
    565-59-3
    Molecular formula:
    C7H16
    IUPAC Name:
    2,3-dimethylpentane
    Constituent 2
    Chemical structure
    Reference substance name:
    Cyclohexane
    EC Number:
    203-806-2
    EC Name:
    Cyclohexane
    CAS Number:
    110-82-7
    Molecular formula:
    C6H12
    IUPAC Name:
    cyclohexane
    Constituent 3
    Chemical structure
    Reference substance name:
    Normal, iso and cyclic C8 hydrocarbons
    Molecular formula:
    C8H16; C8H18
    IUPAC Name:
    Normal, iso and cyclic C8 hydrocarbons
    Constituent 4
    Chemical structure
    Reference substance name:
    Normal, iso and cyclic C7 hydrocarbons
    Molecular formula:
    C7H16;
    IUPAC Name:
    Normal, iso and cyclic C7 hydrocarbons
    Constituent 5
    Chemical structure
    Reference substance name:
    Normal, iso and cyclic C6 hydrocarbons
    Molecular formula:
    C6H14; C6H12
    IUPAC Name:
    Normal, iso and cyclic C6 hydrocarbons
    Constituent 6
    Chemical structure
    Reference substance name:
    Methylcyclohexane
    EC Number:
    203-624-3
    EC Name:
    Methylcyclohexane
    CAS Number:
    108-87-2
    Molecular formula:
    C7H14
    IUPAC Name:
    methylcyclohexane
    Constituent 7
    Chemical structure
    Reference substance name:
    Heptane
    EC Number:
    205-563-8
    EC Name:
    Heptane
    CAS Number:
    142-82-5
    Molecular formula:
    C7H16
    IUPAC Name:
    Heptane
    Constituent 8
    Chemical structure
    Reference substance name: