Valerate

• CAS: 51630-33-2
• Catalog Number: ACM51630332
• Category: Other Products
• Molecular Weight: 394.92
• Molecular Formula: C₂₄H₂₃ClO₃
• Synonyms: SQ 5439, CID6452479, LS-28689, Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, (3-phenoxyphenyl)methyl ester, 51630-33-2
• IUPAC Name: (3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate
• Canonical SMILES: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3
• InChI Key: ZVBYGQHSOONVCF-UHFFFAOYSA-N
• Boiling Point: 495.1ºC at 760mmHg
• Flash Point: 165ºC
• Density: 1.174g/cm³
• Exact Mass: 394.13400
• H-Bond Acceptor: 3
• H-Bond Donor: 0