(4R,6E)-6-[(3S,4S)-4-Bromo-3-Chloro-4-Methylcyclohexylidene]-2-Methylhept-2-En-4-Ol
[CAS# 119736-69-5]

Identification

• Name: (4R,6E)-6-[(3S,4S)-4-Bromo-3-Chloro-4-Methylcyclohexylidene]-2-Methylhept-2-En-4-Ol
• Synonyms: (4R,6E)-6-[(3S,4S)-4-Bromo-3-Chloro-4-Methyl-Cyclohexylidene]-2-Methyl-Hept-2-En-4-Ol; 2-Hepten-4-Ol, 6-(4-Bromo-3-Chloro-4-Methylcyclohexylidene)-2-Methyl-, (3S-(1E(R*),3Alpha,4Beta))-; Peurtitol B
• Molecular Formula: C₁₅H₂₄BrClO
• Molecular Weight: 335.71
• CAS Registry Number: 119736-69-5
• SMILES: [C@H](C=C(C)C)(C\C(C)=C1\C[C@@H]([C@@](CC1)(C)Br)Cl)O
• InChI: 1S/C15H24BrClO/c1-10(2)7-13(18)8-11(3)12-5-6-15(4,16)14(17)9-12/h7,13-14,18H,5-6,8-9H2,1-4H3/b12-11+/t13-,14-,15-/m0/s1
• InChIKey: GXPMZNAWQXOPPN-TYJHLQBPSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 402.682°C at 760 mmHg (Cal.)
• Flash point: 197.335°C (Cal.)