4-Methylcyclohexanone , 98% , 589-92-4

Synonym(s):
4-Methylcyclohexanone;Tetrahydro-p-cresol;Tetrahydro-p-cresol

CAS NO.：589-92-4

Empirical Formula: C7H12O

Molecular Weight: 112.17

MDL number: MFCD00001643

EINECS: 209-665-3

PRODUCT Properties

• Melting point: -41 °C
• Boiling point: 169-171 °C (lit.)
• Density: 0.914 g/mL at 25 °C (lit.)
• vapor pressure: 20 hPa (65 °C)
• refractive index: n20/D 1.4443(lit.)
• FEMA: 3948 | 4-METHYLCYCLOHEXANONE
• Flash point: 105 °F
• storage temp.: Store below +30°C.
• form: Liquid
• color: Clear colorless to slightly yellow
• Odor: at 10.00 % in propylene glycol. musty animal
• Odor Type: animal
• biological source: synthetic
• Water Solubility: Not miscible in water.
• JECFA Number: 1104
• BRN: 506746
• Dielectric constant: 12.4
• Major Application: flavors and fragrances
• InChI: 1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3
• InChIKey: VGVHNLRUAMRIEW-UHFFFAOYSA-N
• SMILES: CC1CCC(=O)CC1
• LogP: 1.33 at 20℃
• CAS DataBase Reference: 589-92-4(CAS DataBase Reference)
• NIST Chemistry Reference: Cyclohexanone, 4-methyl-(589-92-4)
• EPA Substance Registry System: Cyclohexanone, 4-methyl- (589-92-4)

Description and Uses

4-Methylcyclohexanone was used in the synthesis of the pinguisane-type sesquiterpenoid acutifolone A, in racemic form. It is used as intermediates of CCNU and it can be also be used as a solvent.

Safety

• Symbol(GHS): GHS02,GHS07
• Signal word: Warning
• Hazard statements: H226-H302
• Precautionary statements: P210-P301+P312+P330
• PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
• Hazard Codes: Xn,Xi
• Risk Statements: 10-22-20/21/22-2017/10/22
• Safety Statements: 16-36-36/37-23
• RIDADR: UN 2297 3/PG 3
• WGK Germany: 1
• RTECS: GW1750200
• Hazard Note: Irritant
• TSCA: TSCA listed
• HazardClass: 3
• PackingGroup: III
• HS Code: 29142200
• Storage Class: 3 - Flammable liquids
• Hazard Classifications: Acute Tox. 4 Oral; Flam. Liq. 3
• Toxicity: LD50 orally in Rabbit: 800 mg/kg