(1S,2S,5R)-2-Isopropyl-5-Methylcyclohexanecarbonitrile
[CAS# 180978-26-1]

Identification

• Name: (1S,2S,5R)-2-Isopropyl-5-Methylcyclohexanecarbonitrile
• Synonyms: (1S,2S,5R)-2-isopropyl-5-methylcyclohexanecarbonitrile; (1S,2S,5R)-Neomenthyl cyanide; MFCD11974017
• Molecular Formula: C₁₁H₁₉N
• Molecular Weight: 165.28
• CAS Registry Number: 180978-26-1
• SMILES: CC1CCC(C(C1)C#N)C(C)C
• InChI: 1S/C11H19N/c1-8(2)11-5-4-9(3)6-10(11)7-12/h8-11H,4-6H2,1-3H3/t9-,10-,11+/m1/s1
• InChIKey: AWVUYKHSNNYPOX-MXWKQRLJSA-N

Properties

• Density: 0.879g/cm³ (Cal.)
• Boiling point: 250.976°C at 760 mmHg (Cal.)
• Flash point: 97.607°C (Cal.)
• Refractive index: 1.453 (Cal.)

Safety Data

• Safety Description: IRRITANT