4,7-Dimethylocta-1,6-Dien-3-Yl 3-Methylbutanoate
[CAS# 1118-27-0]

Identification

• Classification: Flavors and spices >> Synthetic spice >> Carboxylic acid and ester perfume >> Aliphatic carboxylate
• Name: 4,7-Dimethylocta-1,6-Dien-3-Yl 3-Methylbutanoate
• Synonyms: (2,5-Dimethyl-1-Vinyl-Hex-4-Enyl) 3-Methylbutanoate; 3-Methylbutanoic Acid (2,5-Dimethyl-1-Vinylhex-4-Enyl) Ester; 3-Methylbutyric Acid (2,5-Dimethyl-1-Vinyl-Hex-4-Enyl) Ester
• Molecular Formula: C₁₅H₂₆O₂
• Molecular Weight: 238.37
• CAS Registry Number: 1118-27-0 (50649-12-2)
• EINECS: 214-259-4
• FEMA: 2646
• SMILES: C(C(C(OC(=O)CC(C)C)C=C)C)C=C(C)C
• InChI: 1S/C15H26O2/c1-7-14(13(6)9-8-11(2)3)17-15(16)10-12(4)5/h7-8,12-14H,1,9-10H2,2-6H3
• InChIKey: HEFIQLWSSMNWLQ-UHFFFAOYSA-N

Properties

• Density: 0.885g/cm³ (Cal.)
• Boiling point: 279.505°C at 760 mmHg (Cal.)
• Flash point: 75.803°C (Cal.)