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Reference substances

Reference substances

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General information

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No inventory information available

Reference substance information

Synonyms
Names:
Benzene, dimethyl-
Mixed Xylenes
Mixed xylenes, Ethylbenzene
Xylenes
Identifier:
CAS number
-
Identifier:
CAS number
1330-20-7
Identifier:
CAS number
No CAS number
Identifier:
EC number
905-588-0
Identifier:
EC number
905-588-0
Identifier:
IUPAC name
1,2-xylene; 1,3-xylene; 1,4-xylene; ethylbenzene
Identifier:
IUPAC name
Mixed xylenes
Identifier:
IUPAC name
No Iupac name for this multi constituent substance
Identifier:
IUPAC name
Reaction Mass of Ethylbenzene and Xylene
Identifier:
IUPAC name
Reaction Mass of Ethylbenzene and Xylenes
Identifier:
IUPAC name
Reaction Mass of ethylbenzene and xylene
Identifier:
IUPAC name
Reaction mass of Ethybenzene and Xylene
Identifier:
IUPAC name
Reaction mass of Ethylbenzene and Xylene
Identifier:
IUPAC name
Reaction mass of ethylbenzole and xylene
Identifier:
IUPAC name
m-xylene
Identifier:
IUPAC name
no iupac name
Identifier:
IUPAC name
reaction mass of ethylbenzene and xylene
Identifier:
other: Molecular formula
C32H40
Identifier:
other: Molecular formula
C8H10
Identifier:
other: SMILES notation
CCC1=CC=CC=C1.CC1=CC=C(C)C=C1.CC1=CC(C)=CC=C1.CC1=C(C)C=CC=C1
Identifier:
other: SMILES notation
Cc1cccc(C)c1
Identifier:
other: InChl
InChI=1/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
Identifier:
other: InChl
InChI=1S/4C8H10/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-2-8-6-4-3-5-7-8/h3*3-6H,1-2H3;3-7H,2H2,1H3
Identifier:
other: InChl
InChI=1S/4C8H10/c1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-2-8-6-4-3-5-7-8/h3*3-6H,1-2H3;3-7H,2H2,1H3 AuxInfo=1/0/N:31,32,25,29,26,28,30,27;15,16,10,9,11,13,14,12;23,24,18,19,17,20,22,21;8,7,4,3,5,2,6,1/E:(1,2)(3,4,5,6)(7,8);(1,2)(4,5)(7,8);(1,2)(3,4)(5,6)(7,8);(4,5)(6,7)/rA:32CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/rB:d-1;s2;d-3;s4;s1d-5;s1;s7;;d-9;s10;d-11;s12;s9d-13;s14;s12;;d-17;s18;d-19;s20;s17d-21;s22;s21;;d-25;s26;d-27;s28;s25d-29;s30;s27;/rC:.4677,.4796,0;1.2902,-.8365,0;.4729,-2.1417,0;-1.0341,-2.1417,0;-1.8513,-.8365,0;-1.0288,.4796,0;1.2372,1.8379,0;.4464,3.1594,0;5.2502,.5882,0;5.2502,-.9616,0;6.5785,-1.7319,0;7.8931,-.971,0;7.8931,.5788,0;6.5509,1.3537,0;6.5785,2.8712,0;9.2397,-1.7274,0;-1.6584,-8.0983,0;-1.6584,-9.6387,0;-.3262,-10.4111,0;1.0062,-9.6387,0;1.0062,-8.0845,0;-.34,-7.3396,0;-.34,-5.7992,0;2.3106,-7.3302,0;6.2706,-7.5194,0;6.2706,-9.0594,0;7.6028,-9.8294,0;8.9595,-9.0779,0;8.9595,-7.5379,0;7.6152,-6.7617,0;7.6152,-5.2217,0;7.5784,-11.3328,0;
Identifier:
other: Molecular formula
N.A multiconstituent substance
Identifier:
other: SMILES notation
N.A multiconstituent substance
Identifier:
other: SMILES notation
None available - not a single isomer
Identifier:
other: InChl
None available - not a single isomer
Identifier:
other: SMILES notation
Not applicable, substance is a multi-constituent
Identifier:
other: InChl
Not applicable, substance is a multi-constituent
Identifier:
other: Molecular formula
Not available
Identifier:
other: SMILES notation
Not available
Identifier:
other: InChl
Not available
Identifier:
other: Molecular formula
The substance is a multi-constituent substance.
Identifier:
other: Molecular formula
The substance is a multi-constituent substance. This information cannot be provided for this complex substance due to the inherent variability of molecular weight and structures present
Identifier:
other: Molecular formula
The substance is a multi-constituent substance. This information cannot be provided for this complex substance due to the inherent variability of molecular weight and structures present.
Identifier:
other: trade name
Xylene
Reaction mass of ethylbenzene and xylene

Related substances

Identifiers of related substancesopen allclose all
Identifier:
CAS number
Identity:
1330-20-7
Identifier:
CAS number
Identity:
95-47-6
Identifier:
CAS number
Identity:
108-38-3
Identifier:
CAS number
Identity:
106-42-3
Identifier:
CAS number
Identity:
100-41-4
open allclose all
Identifier:
CAS number
Identity:
1330-20-7
Identifier:
CAS number
Identity:
95-47-6
Identifier:
CAS number
Identity:
108-38-3
Identifier:
CAS number
Identity:
106-42-3
Identifier:
CAS number
Identity:
100-41-4
Identifier:
EC number
Identity:
215-535-7
Identifier:
EC number
Identity:
202-849-4

Molecular and structural information

Molecular formula:
The substance is a multi-constituent substance. This information cannot be provided for this complex substance due to the inherent variability of molecular weight and structures present.
Molecular weight:
106.17
SMILES notation:
Not applicable, substance is a multi-constituent.
InChl:
Not applicable, substance is a multi-constituent.
Structural formula:
Chemical structure