(2E)-3-[(1S)-2,6,6-Trimethyl-2-Cyclohexen-1-Yl]Acrylonitrile
[CAS# 207226-91-3]

Identification

• Name: (2E)-3-[(1S)-2,6,6-Trimethyl-2-Cyclohexen-1-Yl]Acrylonitrile
• Synonyms: (S,E)-3-(2,6,6-trimethylcyclohex-2-en-1-yl)acrylonitrile
• Molecular Formula: C₁₂H₁₇N
• Molecular Weight: 175.27
• CAS Registry Number: 207226-91-3
• SMILES: N#C\C=C\[C@@H]1C(=C/CCC1(C)C)\C
• InChI: 1S/C12H17N/c1-10-6-4-8-12(2,3)11(10)7-5-9-13/h5-7,11H,4,8H2,1-3H3/b7-5+/t11-/m1/s1
• InChIKey: RGAPZGJEDPHZRU-OKPNEXGHSA-N

Properties

• Density: 0.945g/cm³ (Cal.)
• Boiling point: 259.209°C at 760 mmHg (Cal.)
• Flash point: 110.653°C (Cal.)
• Refractive index: 1.527 (Cal.)