beta-Ionylideneethanol Bromoacetate
[CAS# 81112-41-6]

Identification

• Name: beta-Ionylideneethanol Bromoacetate
• Synonyms: 2-Bromoacetic Acid [(2E,4E)-3-Methyl-5-(2,6,6-Trimethyl-1-Cyclohexenyl)Penta-2,4-Dienyl] Ester; [(2E,4E)-3-Methyl-5-(2,6,6-Trimethyl-1-Cyclohexenyl)Penta-2,4-Dienyl] 2-Bromoethanoate; Beta-Ionylideneethanol Bromoacetate
• Molecular Formula: C₁₇H₂₅BrO₂
• Molecular Weight: 341.29
• CAS Registry Number: 81112-41-6
• SMILES: C(OC(=O)CBr)/C=C(/C=C/C1=C(CCCC1(C)C)C)C
• InChI: 1S/C17H25BrO2/c1-13(9-11-20-16(19)12-18)7-8-15-14(2)6-5-10-17(15,3)4/h7-9H,5-6,10-12H2,1-4H3/b8-7+,13-9+
• InChIKey: ALKXAVUXOREVOR-NJHPPEEMSA-N

Properties

• Density: 1.207g/cm³ (Cal.)
• Boiling point: 400.433°C at 760 mmHg (Cal.)
• Flash point: 195.975°C (Cal.)