(1S,5S)-5-Isopropenyl-2-methyl-2-cyclohexen-1-yl acetate
[CAS# 76704-28-4]

Identification

• Name: (1S,5S)-5-Isopropenyl-2-methyl-2-cyclohexen-1-yl acetate
• Synonyms: (1R-cis)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-yl acetate; (1S-cis)-2-methyl-5-(1-methylvinyl)-2-cyclohexen-1-yl acetate; 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1θ-cis)-
• Molecular Formula: C₁₂H₁₈O₂
• Molecular Weight: 194.27
• CAS Registry Number: 76704-28-4
• EINECS: 278-527-2
• SMILES: O=C(O[C@@H]1\C(=C/C[C@H](\C(=C)C)C1)C)C
• InChI: 1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3/t11-,12-/m0/s1
• InChIKey: YTHRBOFHFYZBRJ-RYUDHWBXSA-N

Properties

• Density: 0.966g/cm³ (Cal.)
• Boiling point: 300.217°C at 760 mmHg (Cal.)
• Flash point: 97.778°C (Cal.)