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Key Documents

W330507

Sigma-Aldrich

3-Methyl-1,2-cyclohexanedione

≥98%, FG

Synonym(s):

coffee dione

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About This Item

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

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

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)


Certificates of Analysis (COA)

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