2-[(3S,5R,8S)-3,8-Dimethyl-1,2,3,4,5,6,7,8-Octahydroazulen-5-Yl]Propan-2-Yl Acetate
[CAS# 134-28-1]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Carboxylic acid and ester perfume >> Aromatic carboxylic acid ester
• Name: 2-[(3S,5R,8S)-3,8-Dimethyl-1,2,3,4,5,6,7,8-Octahydroazulen-5-Yl]Propan-2-Yl Acetate
• Synonyms: [1-[(3S,5R,8S)-3,8-Dimethyl-1,2,3,4,5,6,7,8-Octahydroazulen-5-Yl]-1-Methyl-Ethyl] Acetate; Acetic Acid [1-[(3S,5R,8S)-3,8-Dimethyl-1,2,3,4,5,6,7,8-Octahydroazulen-5-Yl]-1-Methylethyl] Ester; Acetic 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: C₁₇H₂₈O₂
• Molecular Weight: 264.41
• CAS Registry Number: 134-28-1
• EINECS: 205-135-0
• SMILES: [C@@H]2(C)C1=C([C@@H](C)CC[C@@H](C(C)(OC(=O)C)C)C1)CC2
• InChI: 1S/C17H28O2/c1-11-6-8-14(17(4,5)19-13(3)18)10-16-12(2)7-9-15(11)16/h11-12,14H,6-10H2,1-5H3/t11-,12-,14+/m0/s1
• InChIKey: DRFSOBZVMGLICQ-SGMGOOAPSA-N

Properties

• Density: 0.981g/cm³ (Cal.)
• Boiling point: 333.703°C at 760 mmHg (Cal.)
• Flash point: 103.978°C (Cal.)