(3S,4R)-4-(Hydroxymethyl)-3-methyl-3-(4-methyl-3-penten-1-yl)cyclohexanone
[CAS# 802622-17-9]

Identification

• Name: (3S,4R)-4-(Hydroxymethyl)-3-methyl-3-(4-methyl-3-penten-1-yl)cyclohexanone
• Synonyms: (3S,4R)-4-(hydroxymethyl)-3-methyl-3-(4-methylpent-3-en-1-yl)cyclohexanone
• Molecular Formula: C₁₄H₂₄O₂
• Molecular Weight: 224.34
• CAS Registry Number: 802622-17-9
• SMILES: CC(=CCC[C@]1(CC(=O)CC[C@H]1CO)C)C
• InChI: 1S/C14H24O2/c1-11(2)5-4-8-14(3)9-13(16)7-6-12(14)10-15/h5,12,15H,4,6-10H2,1-3H3/t12-,14-/m0/s1
• InChIKey: IGESBTYQQKEFJA-JSGCOSHPSA-N

Properties

• Density: 0.947g/cm³ (Cal.)
• Boiling point: 330.203°C at 760 mmHg (Cal.)
• Flash point: 140.304°C (Cal.)
• Refractive index: 1.472 (Cal.)