Kitol
[CAS# 4626-00-0]

Identification

• Name: Kitol
• Synonyms: [(1R,2S,5S,6R)-3,6-Dimethyl-2-Methylol-5-[(1E,3E)-2-Methyl-4-(2,6,6-Trimethyl-1-Cyclohexenyl)Buta-1,3-Dienyl]-6-[(1E,3E,5E)-4-Methyl-6-(2,6,6-Trimethyl-1-Cyclohexenyl)Hexa-1,3,5-Trienyl]-1-Cyclohex-3-Enyl]Methanol; Kitol; Kitol A
• Molecular Formula: C₄₀H₆₀O₂
• Molecular Weight: 572.91
• CAS Registry Number: 4626-00-0
• SMILES: [C@]1([C@@H]([C@@H](C(=C[C@@H]1\C=C(\C=C\C2=C(CCCC2(C)C)C)C)C)CO)CO)(\C=C\C=C(\C=C\C3=C(CCCC3(C)C)C)C)C
• InChI: 1S/C40H60O2/c1-28(17-19-35-30(3)15-12-21-38(35,6)7)14-11-23-40(10)33(25-32(5)34(26-41)37(40)27-42)24-29(2)18-20-36-31(4)16-13-22-39(36,8)9/h11,14,17-20,23-25,33-34,37,41-42H,12-13,15-16,21-22,26-27H2,1-10H3/b19-17+,20-18+,23-11+,28-14+,29-24+/t33-,34+,37+,40+/m0/s1
• InChIKey: NTTHYVALAYBGDV-WHFXJCNXSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 672.7±55.0°C at 760 mmHg (Cal.)
• Flash point: 254.5±26.1°C (Cal.)