Benzeneacetic Acid (3S)-3,7-Dimethyl-7-Octen-1-Yl Ester
[CAS 10486-14-3]

Identification

• Name: Benzeneacetic Acid (3S)-3,7-Dimethyl-7-Octen-1-Yl Ester
• Synonyms: 2-Phenylacetic Acid 3,7-Dimethyloct-7-Enyl Ester; 3,7-Dimethyloct-7-Enyl 2-Phenylethanoate; Phenylacetic Acid 3,7-Dimethyl-7-Octenyl Ester
• Molecular Formula: C₁₈H₂₆O₂
• Molecular Weight: 274.40
• CAS Registry Number: 10486-14-3
• EINECS: 234-003-5
• SMILES: C1=CC=CC=C1CC(OCCC(CCCC(=C)C)C)=O
• InChI: 1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,10-11,16H,1,7-9,12-14H2,2-3H3
• InChIKey: SKZDJVXLRPCFQC-UHFFFAOYSA-N

Properties

• Density: 0.959g/cm³ (Cal.)
• Boiling point: 372.357°C at 760 mmHg (Cal.)
• Flash point: 120.017°C (Cal.)
• Refractive index: 1.494-1.505 (Expl.)