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Merck
CN

W336009

3-Methyl-2-cyclohexenone

≥98%, stabilized, FG

Synonym(s):

nutty cyclohexenone

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About This Item

Linear Formula:
CH3C6H7(=O)
CAS Number:
1193-18-6
Molecular Weight:
110.15
FEMA Number:
3360
Council of Europe no.:
11134
UNSPSC Code:
12164502
PubChem Substance ID:
24901666
Flavis number:
7.098
EC Number:
214-769-7
NACRES:
NA.21
MDL number:
MFCD00001581
Beilstein/REAXYS Number:
1560601
Organoleptic:
caramel; nutty; sweet
Grade:
FG, Halal, Kosher
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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SMILES string

CC1=CC(=O)CCC1

InChI

1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3

InChI key

IITQJMYAYSNIMI-UHFFFAOYSA-N

biological source

synthetic

grade

FG, Halal, Kosher

reg. compliance

EU Regulation 1334/2008 & 872/2012

assay

≥98%

contains

α-Tocopherol, synthetic as stabilizer

Quality Level

400

bp

199-200 °C (lit.)

density

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

caramel; nutty; sweet

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pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

10 - Combustible liquids

wgk

WGK 3

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCJ4655
MKCD6373
MKCC6302
MKCC5950
MKBV9632V

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Shoichiro Horita et al.
Chembiochem : a European journal of chemical biology, 16(3), 440-445 (2015-02-03)
(4R,6R)-Actinol can be stereo-selectively synthesized from ketoisophorone by a two-step conversion using a mixture of two enzymes: Candida macedoniensis old yellow enzyme (CmOYE) and Corynebacterium aquaticum (6R)-levodione reductase. However, (4S)-phorenol, an intermediate, accumulates because of the limited substrate range of

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