Butyl 3-Hydroxy-3,4-Dimethyl-5-(2,6,6-Trimethyl-2-Cyclohexen-1-Yl)Pent-4-En-1-Oate
[CAS# 94135-46-3]

Identification

• Name: Butyl 3-Hydroxy-3,4-Dimethyl-5-(2,6,6-Trimethyl-2-Cyclohexen-1-Yl)Pent-4-En-1-Oate
• Synonyms: (E)-3-Hydroxy-3,4-Dimethyl-5-(2,6,6-Trimethyl-1-Cyclohex-2-Enyl)Pent-4-Enoic Acid Butyl Ester; Butyl 3-Hydroxy-3,4-Dimethyl-5-(2,6,6-Trimethyl-2-Cyclohexen-1-Yl)Pent-4-En-1-Oate
• Molecular Formula: C₂₀H₃₄O₃
• Molecular Weight: 322.49
• CAS Registry Number: 94135-46-3
• EINECS: 302-915-3
• SMILES: C(C(O)(C(=C/C1C(CCC=C1C)(C)C)/C)C)C(OCCCC)=O
• InChI: 1S/C20H34O3/c1-7-8-12-23-18(21)14-20(6,22)16(3)13-17-15(2)10-9-11-19(17,4)5/h10,13,17,22H,7-9,11-12,14H2,1-6H3/b16-13+
• InChIKey: ICPXGSJJLTZHKN-DTQAZKPQSA-N

Properties

• Density: 0.992g/cm³ (Cal.)
• Boiling point: 413.811°C at 760 mmHg (Cal.)
• Flash point: 155.799°C (Cal.)