(2S,5R)-5-Methyl-2-(1-Methylethyl)-Cyclohexanone
[CAS# 14073-97-3]

Identification

• Classification: Biochemical >> Plant extracts
• Name: (2S,5R)-5-Methyl-2-(1-Methylethyl)-Cyclohexanone
• Synonyms: (2S,5R)-2-Isopropyl-5-Methyl-Cyclohexan-1-One; (2S,5R)-2-Isopropyl-5-Methyl-1-Cyclohexanone; (2S,5R)-5-Methyl-2-Propan-2-Yl-Cyclohexan-1-One
• Molecular Formula: C₁₀H₁₈O
• Molecular Weight: 154.25
• CAS Registry Number: 14073-97-3
• EINECS: 237-926-1
• FEMA: 2667
• SMILES: [C@@H]1(C(C[C@@H](CC1)C)=O)C(C)C
• InChI: 1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
• InChIKey: NFLGAXVYCFJBMK-BDAKNGLRSA-N

Properties

• Density: 0.9±0.1g/cm³ (Cal.)
• Boiling point: 204.999°C at 760 mmHg (Cal.)
• Flash point: 72.778°C (Cal.)
• Refractive index: 1.45 (Expl.)

Safety Data

• Safety Code: S26
• Risk Code: R36
• Hazard Symbol: X
• Safety Description: WARNING: Not sold for human treatment, trials or use