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Merck
CN

W394807

4-Methylcyclohexanone

≥99%

Synonym(s):

Tetrahydro-p-cresol

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About This Item

Linear Formula:
CH3C6H9(=O)
CAS Number:
589-92-4
Molecular Weight:
112.17
FEMA Number:
3948
NACRES:
NA.21
PubChem Substance ID:
24901949
UNSPSC Code:
12164502
EC Number:
209-665-3
MDL number:
MFCD00001643
Beilstein/REAXYS Number:
506746
Organoleptic:
musty; animal
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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Product Name

4-Methylcyclohexanone, ≥99%

InChI key

VGVHNLRUAMRIEW-UHFFFAOYSA-N

InChI

1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3

SMILES string

CC1CCC(=O)CC1

biological source

synthetic

reg. compliance

FDA 21 CFR 117

assay

≥99%

refractive index

n20/D 1.4443 (lit.)

bp

169-171 °C (lit.)

density

0.914 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

musty; animal

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General description

4-Methylcyclohexanone is a cyclic flavor ketone that is reported to be present in volatile oil of roasted sesame seeds.

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

hcodes

H226,H302

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 1

flash_point_f

118.4 °F - closed cup

flash_point_c

48 °C - closed cup

ppe

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SHBL3652
STBD5706V
STBG0268V
STBF4716V
STBF7877V

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Identification of volatile flavor components of the oil from roasted sesame seeds.
Nakamura S, et al.
Agricultural and Biological Chemistry, 53(7), 1891-1899 (1989)

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