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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
octan-3-one

Inventory

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

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

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