(3aR,6S,7aS)-3A,6-Dihydroxy-4,4,7A-Trimethylhexahydro-1-Benzofuran-2(3H)-One
[CAS# 398119-18-1]

Identification

• Name: (3aR,6S,7aS)-3A,6-Dihydroxy-4,4,7A-Trimethylhexahydro-1-Benzofuran-2(3H)-One
• Synonyms: (3aR,6S,7aS)-3a,6-dihydroxy-4,4,7a-trimethylhexahydrobenzofuran-2(3H)-one
• Molecular Formula: C₁₁H₁₈O₄
• Molecular Weight: 214.26
• CAS Registry Number: 398119-18-1
• SMILES: O=C1O[C@]2(C[C@@H](O)CC([C@]2(O)C1)(C)C)C
• InChI: 1S/C11H18O4/c1-9(2)4-7(12)5-10(3)11(9,14)6-8(13)15-10/h7,12,14H,4-6H2,1-3H3/t7-,10-,11+/m0/s1
• InChIKey: XSZPDSCYNQJNEM-BKDNQFJXSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 368.446°C at 760 mmHg (Cal.)
• Flash point: 142.67°C (Cal.)
• Refractive index: 1.544 (Cal.)