[3S-(3alpha,5alpha,8alpha)]-1-Methyl-1-(1,2,3,4,5,6,7,8-Octahydro-3,8-Dimethylazulen-5-Yl)Ethyl Butyrate
[CAS# 73003-91-5]

Identification

• Name: [3S-(3alpha,5alpha,8alpha)]-1-Methyl-1-(1,2,3,4,5,6,7,8-Octahydro-3,8-Dimethylazulen-5-Yl)Ethyl Butyrate
• Synonyms: [1-[(3S,5R,8S)-3,8-Dimethyl-1,2,3,4,5,6,7,8-Octahydroazulen-5-Yl]-1-Methyl-Ethyl] Butanoate; Butanoic Acid [1-[(3S,5R,8S)-3,8-Dimethyl-1,2,3,4,5,6,7,8-Octahydroazulen-5-Yl]-1-Methylethyl] Ester; Butyric Acid [1-[(3S,5R,8S)-3,8-Dimethyl-1,2,3,4,5,6,7,8-Octahydroazulen-5-Yl]-1-Methyl-Ethyl] Ester
• Molecular Formula: C₁₉H₃₂O₂
• Molecular Weight: 292.46
• CAS Registry Number: 73003-91-5
• EINECS: 277-213-2
• SMILES: [C@H]1(C(OC(=O)CCC)(C)C)CC2=C([C@H](CC1)C)CC[C@@H]2C
• InChI: 1S/C19H32O2/c1-6-7-18(20)21-19(4,5)15-10-8-13(2)16-11-9-14(3)17(16)12-15/h13-15H,6-12H2,1-5H3/t13-,14-,15+/m0/s1
• InChIKey: FZRQHSNXHSRRMX-SOUVJXGZSA-N

Properties

• Density: 0.968g/cm³ (Cal.)
• Boiling point: 365.141°C at 760 mmHg (Cal.)
• Flash point: 104.113°C (Cal.)