4-(Hexyloxy)phenyl 4-Butylbenzoate

• CAS: 38454-28-3
• Catalog Number: ACM38454283
• Category: Other Products
• Molecular Weight: 354.48
• Molecular Formula: C23H30O3
• Synonyms: 4-Butylbenzoic Acid 4-(Hexyloxy)phenyl Ester
• IUPAC Name: (4-hexoxyphenyl) 4-butylbenzoate
• SMILES: CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC
• InChI: InChI=1S/C23H30O3/c1-3-5-7-8-18-25-21-14-16-22(17-15-21)26-23(24)20-12-10-19(11-13-20)9-6-4-2/h10-17H,3-9,18H2,1-2H3
• InChI Key: QZYDWVAYBOXUCW-UHFFFAOYSA-N
• Melting Point: 29 °C
• Appearance: White to Light yellow powder to lump
• Storage: Sealed in dry. Room temperature.
• Complexity: 366
• Covalently-Bonded Unit Count: 1
• Exact Mass: 354.219495g/mol
• Formal Charge: 0
• Hazard Statements: H413 : May cause long lasting harmful effects to aquatic life.
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 26
• MDL Number: MFCD00060083
• Monoisotopic Mass: 354.219495g/mol
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.
• Rotatable Bond Count: 12
• XLogP3: 7.5