Cholesta-3,5-Dien-7-One
[CAS# 567-72-6]

Identification

• Name: Cholesta-3,5-Dien-7-One
• Synonyms: 17-(1,5-Dimethylhexyl)-10,13-Dimethyl-1,2,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-7-One; Nsc134914
• Molecular Formula: C₂₇H₄₂O
• Molecular Weight: 382.63
• CAS Registry Number: 567-72-6
• EINECS: 209-305-5
• SMILES: C(C(C3C2(CCC1C4(C(=CC(=O)C1C2CC3)C=CCC4)C)C)C)CCC(C)C
• InChI: 1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3
• InChIKey: TTXJJFWWNDJDNR-UHFFFAOYSA-N

Properties

• Density: 0.997g/cm³ (Cal.)
• Boiling point: 493.987°C at 760 mmHg (Cal.)
• Flash point: 250.738°C (Cal.)