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Reference substances

Reference substances

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General information

Inventory

EC number:
203-423-0
EC name:
Octan-3-one
CAS number:
106-68-3

No inventory information available

Reference substance information

IUPAC name:
octan-3-one
Synonyms
Names:
3-Octanone
Identifier:
CAS number
106-68-3
Identifier:
EC number
203-423-0
Identifier:
IUPAC name
Ethyl amyl ketone
Identifier:
IUPAC name
Octan-3-one
Identifier:
ChemSpider ID
215929
Identifier:
common name
Ethyl amyl ketone; n-Octanone-3; Amyl ethyl ketone; Ethyl pentyl ketone; Ethyl n-amyl ketone; Ethyl n-pentyl ketone
Identifier:
other: InChl
1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
Identifier:
other: SMILES notation
C(CCCC)C(=O)CC
Identifier:
other: InChl
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3 Key: RHLVCLIPMVJYKS-UHFFFAOYSA-N InChI=1/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3 Key: RHLVCLIPMVJYKS-UHFFFAOYAV
octan-3-one

CAS information

CAS number:
106-68-3

Molecular and structural information

Molecular formula:
C8H16O
Molecular weight:
128.212
SMILES notation:
CCCCCC(=O)CC
InChl:
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3
Structural formula:
Chemical structure