W394807
4-Methylcyclohexanone
≥99%
Synonym(s):
Tetrahydro-p-cresol
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About This Item
Linear Formula:
CH3C6H9(=O)
CAS Number:
Molecular Weight:
112.17
NACRES:
NA.21
PubChem Substance ID:
UNSPSC Code:
12164502
EC Number:
209-665-3
MDL number:
Beilstein/REAXYS Number:
506746
FEMA Number:
3948
Organoleptic:
musty; animal
Biological source:
synthetic
Food allergen:
no known allergens
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
SMILES string
CC1CCC(=O)CC1
InChI
1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
InChI key
VGVHNLRUAMRIEW-UHFFFAOYSA-N
General description
4-Methylcyclohexanone is a cyclic flavor ketone that is reported to be present in volatile oil of roasted sesame seeds.
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signalword
Warning
hcodes
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
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