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Key Documents

W343502

Sigma-Aldrich

3-Methyl-2-cyclopenten-1-one

97%, FG

Synonym(s):

3-Methyl-2-cyclopentenone

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About This Item

Linear Formula:
CH3C5H5(=O)
CAS Number:
Molecular Weight:
96.13
FEMA Number:
3435
Beilstein:
1280476
EC Number:
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
7.112
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG

reg. compliance

EU Regulation 1334/2008 & 872/2012
FDA 21 CFR 110

Assay

97%

refractive index

n20/D 1.488 (lit.)

bp

74 °C/15 mmHg (lit.)

mp

3-5 °C (lit.)

density

0.980 g/mL at 20 °C
0.971 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

fruity; sweet

SMILES string

CC1=CC(=O)CC1

InChI

1S/C6H8O/c1-5-2-3-6(7)4-5/h4H,2-3H2,1H3

InChI key

CHCCBPDEADMNCI-UHFFFAOYSA-N

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General description

3-Methyl-2-cyclopenten-1-one is a component of smoke flavoring.

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

149.0 °F - closed cup

Flash Point(C)

65 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Isolation and identification of the components of the tar of hickory wood smoke.
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Journal of Agricultural and Food Chemistry, 22(1), 123-126 (1974)
Study of the components of a solid smoke flavouring preparation.
Guillen MD & Manzanos MJ.
Food Chemistry, 55(3), 251-257 (1996)

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