Cas no 5452-07-3 (Butanoic acid,3-methyl-, 3-phenylpropyl ester)

Butanoic acid,3-methyl-, 3-phenylpropyl ester structure
5452-07-3 structure
Product Name:Butanoic acid,3-methyl-, 3-phenylpropyl ester
CAS No:5452-07-3
MF:C14H20O2
MW:220.307404518127
CID:370396
Update Time:2025-04-19

Butanoic acid,3-methyl-, 3-phenylpropyl ester Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,3-methyl-, 3-phenylpropyl ester
    • 3-PHENYL PROPYL-ISO-VALERATE
    • 3-phenylpropyl 2-methylbutyrate
    • 3-Phenylpropyl isopentanoate
    • 3-Phenylpropyl isovalerate
    • 3-Phenylpropyl isovalerianate
    • Hydrocinnamyl isovalerate
    • Inchi： 1S/C14H20O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3
    • InChI Key： LBNFCOMOXOWXCD-UHFFFAOYSA-N
    • SMILES： CC(CC(OCCCC1C=CC=CC=1)=O)C

Computed Properties

  • Exact Mass: 234.16200
  • Monoisotopic Mass: 220.146
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 7
  • Complexity: 193
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Density: 0.98?g/mL?at 25?°C(lit.)
  • Boiling Point: 285?°C(lit.)
  • Flash Point: >230?°F
  • Refractive Index: n20/D 1.484(lit.)
  • PSA: 26.30000
  • LogP: 3.59860
  • FEMA: 2899 | 3-PHENYLPROPYL ISOVALERATE

Butanoic acid,3-methyl-, 3-phenylpropyl ester Security Information

  • WGK Germany：3

Butanoic acid,3-methyl-, 3-phenylpropyl ester Customs Data

  • HS CODE：2915900090
  • Customs Data：

    China Customs Code:

    2915900090

    Overview:

    2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

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