(1R,4S,7aR)-1-[(2S)-1-Hydroxy-2-propanyl]-7a-methyloctahydro-1H-inden-4-yl benzoate
[CAS# 66774-70-7]

Identification

• Name: (1R,4S,7aR)-1-[(2S)-1-Hydroxy-2-propanyl]-7a-methyloctahydro-1H-inden-4-yl benzoate
• Synonyms: (1R,4S,7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-octahydro-1H-inden-4-yl benzoate; Benzoic acid 1S-(2-hydroxy-1R-methyl-ethyl)-; 7R-methyl-octahydro-inden-4R-yl ester
• Molecular Formula: C₂₀H₂₈O₃
• Molecular Weight: 316.43
• CAS Registry Number: 66774-70-7
• SMILES: C[C@H](CO)[C@H]1CCC2[C@@]1(CCC[C@@H]2OC(=O)C3=CC=CC=C3)C
• InChI: 1S/C20H28O3/c1-14(13-21)16-10-11-17-18(9-6-12-20(16,17)2)23-19(22)15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3/t14-,16-,17?,18+,20-/m1/s1
• InChIKey: YDGDTMZQDFVDCD-QPWMYVPMSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 427.3±18.0°C at 760 mmHg (Cal.)
• Flash point: 167.9±14.0°C (Cal.)