4-Methylcyclohexanone
ALDRICH/W394807 - ≥99%
Synonym: Tetrahydro-p-cresol
CAS Number: 589-92-4
Empirical Formula (Hill Notation): C7H12O
Molecular Weight: 112.17
EC Number: 209-665-3
MDL Number: MFCD00001643
Linear Formula: CH3C6H9(=O)
Product Type: Chemical
application(s) | flavors and fragrances |
assay | ≥99% |
biological source | synthetic |
bp | 169-171 °C (lit.) |
density | 0.914 g/mL at 25 °C (lit.) |
documentation | see Safety & Documentation for available documents |
food allergen | no known allergens |
InChI | 1S/C7H12O/c1-6-2-4-7(8)5- |
InChI key | VGVHNLRUAMRIEW-UHFFFAOYSA |
organoleptic | musty; animal |
Quality Level | 400 ![]() |
refractive index | n |
reg. compliance | FDA 21 CFR 117 |
SMILES string | CC1CCC(=O)CC1 |
General description: | 4-Methylcyclohexanone is a cyclic flavor ketone that is reported to be present in volatile oil of roasted sesame seeds. |
Packaging: | 1 kg in glass bottle |
Packaging: | 100 g in glass bottle |
Packaging: | 4 kg in steel drum |
Symbol | ![]() ![]() |
Signal word | Warning |
Hazard statements | H226 - H302 |
Precautionary statements | P210 - P301 + P312 + P330 |
Hazard Codes | Xn |
Risk Statements | 10-22 |
Safety Statements | 16-36 |
RIDADR | UN 2297 3 / PGIII |
WGK Germany | WGK 1 |
Purity | ≥99% |
bp | 169-171 °C (lit.) |
Density | 0.914 g/mL at 25 °C (lit.) |
Refractive Index | n |
FEMA Number | 3948 |
UNSPSC | 12164502 |