1-Methyl-3-(2,6,6-Trimethyl-2-Cyclohexen-1-Yl)Allyl Phenylacetate
[CAS# 93805-75-5]

Identification

• Name: 1-Methyl-3-(2,6,6-Trimethyl-2-Cyclohexen-1-Yl)Allyl Phenylacetate
• Synonyms: [(E)-1-Methyl-3-(2,6,6-Trimethyl-1-Cyclohex-2-Enyl)Prop-2-Enyl] 2-Phenylacetate; 2-Phenylacetic Acid [(E)-1-Methyl-3-(2,6,6-Trimethyl-1-Cyclohex-2-Enyl)Prop-2-Enyl] Ester; [(E)-4-(2,6,6-Trimethyl-1-Cyclohex-2-Enyl)But-3-En-2-Yl] 2-Phenylethanoate
• Molecular Formula: C₂₁H₂₈O₂
• Molecular Weight: 312.45
• CAS Registry Number: 93805-75-5
• EINECS: 298-559-0
• SMILES: C2=C(CC(OC(/C=C/C1C(CCC=C1C)(C)C)C)=O)C=CC=C2
• InChI: 1S/C21H28O2/c1-16-9-8-14-21(3,4)19(16)13-12-17(2)23-20(22)15-18-10-6-5-7-11-18/h5-7,9-13,17,19H,8,14-15H2,1-4H3/b13-12+
• InChIKey: JLOVXOSAZQUCOT-OUKQBFOZSA-N

Properties

• Density: 1.021g/cm³ (Cal.)
• Boiling point: 401.787°C at 760 mmHg (Cal.)
• Flash point: 119.086°C (Cal.)