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W330507

Sigma-Aldrich

3-Methyl-1,2-cyclohexanedione

≥98%, FG

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Synonym(s):
coffee dione
Linear Formula:
CH3C6H7(=O)2
CAS Number:
Molecular Weight:
126.15
FEMA Number:
3305
EC Number:
Council of Europe no.:
2311
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
7.080
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Halal

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002

Assay

≥98%

bp

69-72 °C/1 mmHg (lit.)

mp

61-63 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

bread; burnt; caramel; coffee; maple

SMILES string

CC1CCCC(=O)C1=O

InChI

1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h5H,2-4H2,1H3

InChI key

JDXJKLGWPNXSHL-UHFFFAOYSA-N

Gene Information

Related Categories

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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