3,7-Dimethyl-1,6-Octadien-3-Ol 3-Benzoate
[CAS# 126-64-7]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Carboxylic acid and ester perfume >> Aromatic carboxylic acid ester
• Name: 3,7-Dimethyl-1,6-Octadien-3-Ol 3-Benzoate
• Synonyms: (1,5-Dimethyl-1-Vinyl-Hex-4-Enyl) Benzoate; Benzoic Acid (1,5-Dimethyl-1-Vinylhex-4-Enyl) Ester; Benzoic Acid (1,5-Dimethyl-1-Vinyl-Hex-4-Enyl) Ester
• Molecular Formula: C₁₇H₂₂O₂
• Molecular Weight: 258.36
• CAS Registry Number: 126-64-7
• EINECS: 204-796-2
• FEMA: 2638
• SMILES: C1=C(C(OC(CCC=C(C)C)(C=C)C)=O)C=CC=C1
• InChI: 1S/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3
• InChIKey: BTJXBZZBBNNTOV-UHFFFAOYSA-N

Properties

• Desity: 0.977g/cm³ (Cal.)
• Boiling point: 263°C (Expl.)
• Flash point: 158.735°C (Cal.)
• Refractive index: 1.505-1.526 (Expl.)