3,5,5-Trimethylhexyl Phenylacetate
[CAS# 93805-70-0]

Identification

• Name: 3,5,5-Trimethylhexyl Phenylacetate
• Synonyms: 2-Phenylacetic Acid 3,5,5-Trimethylhexyl Ester; 3,5,5-Trimethylhexyl 2-Phenylethanoate; 3,5,5-Trimethylhexyl Phenylacetate
• Molecular Formula: C₁₇H₂₆O₂
• Molecular Weight: 262.39
• CAS Registry Number: 93805-70-0
• EINECS: 298-553-8
• SMILES: C1=C(CC(OCCC(CC(C)(C)C)C)=O)C=CC=C1
• InChI: 1S/C17H26O2/c1-14(13-17(2,3)4)10-11-19-16(18)12-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3
• InChIKey: VKRXQLKRLJQTEI-UHFFFAOYSA-N

Properties

• Density: 0.955g/cm³ (Cal.)
• Boiling point: 332.872°C at 760 mmHg (Cal.)
• Flash point: 101.848°C (Cal.)