beta-Ionylbromoacetate
[CAS# 81112-42-7]

Identification

• Name: beta-Ionylbromoacetate
• Synonyms: [(E)-1-Methyl-3-(2,6,6-Trimethyl-1-Cyclohexenyl)Prop-2-Enyl] 2-Bromoacetate; 2-Bromoacetic Acid [(E)-1-Methyl-3-(2,6,6-Trimethyl-1-Cyclohexenyl)Prop-2-Enyl] Ester; [(E)-4-(2,6,6-Trimethyl-1-Cyclohexenyl)But-3-En-2-Yl] 2-Bromoethanoate
• Molecular Formula: C₁₅H₂₃BrO₂
• Molecular Weight: 315.25
• CAS Registry Number: 81112-42-7
• SMILES: C(Br)C(OC(/C=C/C1=C(CCCC1(C)C)C)C)=O
• InChI: 1S/C15H23BrO2/c1-11-6-5-9-15(3,4)13(11)8-7-12(2)18-14(17)10-16/h7-8,12H,5-6,9-10H2,1-4H3/b8-7+
• InChIKey: SCDBNWDJDBZRDB-BQYQJAHWSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 357.994°C at 760 mmHg (Cal.)
• Flash point: 170.309°C (Cal.)