Valeranone
[CAS# 5090-54-0]

Identification

• Name: Valeranone
• Synonyms: (7R)-7-Isopropyl-4A,8A-Dimethyl-Decalin-1-One; (7R)-7-Isopropyl-4A,8A-Dimethyl-1-Decalinone; 1(2H)-Naphthalenone, Octahydro-7-Beta-Isopropyl-4A-Alpha,8A-Alpha-Dimethyl-, (-)
• Molecular Formula: C₁₅H₂₆O
• Molecular Weight: 222.37
• CAS Registry Number: 5090-54-0
• SMILES: [C@@H]1(CC2(C(CC1)(CCCC2=O)C)C)C(C)C
• InChI: 1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14?,15?/m1/s1
• InChIKey: HDVXJTYHXDVWQO-LRVUVFPRSA-N

Properties

• Density: 0.94g/cm³ (Cal.)
• Boiling point: 287.882°C at 760 mmHg (Cal.)
• Flash point: 120.371°C (Cal.)