(1S,4S,5S)-5-Isopropyl-2-methyl-2-cyclohexene-1,4-diol
[CAS# 676268-01-2]

Identification

• Name: (1S,4S,5S)-5-Isopropyl-2-methyl-2-cyclohexene-1,4-diol
• Synonyms: (1S,4S,5S)-5-isopropyl-2-methylcyclohex-2-ene-1,4-diol
• Molecular Formula: C₁₀H₁₈O₂
• Molecular Weight: 170.25
• CAS Registry Number: 676268-01-2
• SMILES: CC1=C[C@H]([C@@H](C[C@@H]1O)C(C)C)O
• InChI: 1S/C10H18O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8-12H,5H2,1-3H3/t8-,9-,10+/m0/s1
• InChIKey: CDEBGVXOFDWUAF-LPEHRKFASA-N

Properties

• Density: 1.039g/cm³ (Cal.)
• Boiling point: 279.402°C at 760 mmHg (Cal.)
• Flash point: 129.164°C (Cal.)
• Refractive index: 1.51 (Cal.)