Methyl (1R,4aR,4bR,10aR)-1,4a-Dimethyl-7-Propan-2-Yl-2,3,4,4b,5,6,10,10a-Octahydrophenanthrene-1-Carboxylate
[CAS# 127-25-3]

Identification

• Classification: Food additive >> Gum base
• Name: Methyl (1R,4aR,4bR,10aR)-1,4a-Dimethyl-7-Propan-2-Yl-2,3,4,4b,5,6,10,10a-Octahydrophenanthrene-1-Carboxylate
• Synonyms: Methyl (1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carboxylate; (1R,4Ar,4Br,10Ar)-7-Isopropyl-1,4A-Dimethyl-2,3,4,4B,5,6,10,10A-Octahydrophenanthrene-1-Carboxylic Acid Methyl Ester; 1-Phenanthrenecarboxylic Acid, 1,2,3,4,4A,4B,5,6,10,10A-Decahydro-1,4A-Dimethyl-7-(1-Methylethyl)-, Methyl Ester, [1R-(1.Alpha.,4A.Beta.,4B.Alpha.,10A.Alpha.)]-
• Molecular Formula: C₂₁H₃₂O₂
• Molecular Weight: 316.48
• CAS Registry Number: 127-25-3
• EINECS: 204-832-7
• SMILES: [C@]12([C@H]([C@@](C(=O)OC)(C)CCC1)CC=C3[C@@H]2CCC(=C3)C(C)C)C
• InChI: 1S/C21H32O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h8,13-14,17-18H,6-7,9-12H2,1-5H3/t17-,18+,20+,21+/m0/s1
• InChIKey: OVXRPXGVKBHGQO-UYWIDEMCSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 403.8±44.0°C at 760 mmHg (Cal.)
• Flash point: 192.8±16.0°C (Cal.)