(1R,3S)-6-(3-Hydroxy-1-buten-1-ylidene)-1,5,5-trimethyl-1,3-cyclohexanediol
[CAS# 809281-50-3]

Identification

• Name: (1R,3S)-6-(3-Hydroxy-1-buten-1-ylidene)-1,5,5-trimethyl-1,3-cyclohexanediol
• Synonyms: (1R,3S)-6-(3-hydroxybut-1-en-1-ylidene)-1,5,5-trimethylcyclohexane-1,3-diol
• Molecular Formula: C₁₃H₂₂O₃
• Molecular Weight: 226.31
• CAS Registry Number: 809281-50-3
• SMILES: CC(C=C=C1[C@](C[C@H](CC1(C)C)O)(C)O)O
• InChI: 1S/C13H22O3/c1-9(14)5-6-11-12(2,3)7-10(15)8-13(11,4)16/h5,9-10,14-16H,7-8H2,1-4H3/t6?,9?,10-,13+/m0/s1
• InChIKey: OWFGLXIJMKELAW-FESSQJBMSA-N

Properties

• Density: 1.068g/cm³ (Cal.)
• Boiling point: 371.292°C at 760 mmHg (Cal.)
• Flash point: 174.108°C (Cal.)
• Refractive index: 1.521 (Cal.)