Cas no 5454-11-5 (Heptanoic acid,2-phenylethyl ester)

Heptanoic acid,2-phenylethyl ester structure
5454-11-5 structure
Product Name:Heptanoic acid,2-phenylethyl ester
CAS No:5454-11-5
MF:C15H22O2
MW:234.333984851837
CID:368902
PubChem ID:79552
Update Time:2025-04-19

Heptanoic acid,2-phenylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Heptanoic acid,2-phenylethyl ester
    • PHENYLETHYL-HEPTANOATE
    • 2-Heptanoyloxy-1-phenyl-aethan
    • heptanoic acid phenethyl ester
    • Heptansaeure-phenaethylester
    • phenethyl heptanoate
    • Phenylethyl heptanoate
    • Phenylethyl heptylate
    • NSC-23063
    • DTXSID9063904
    • 2-Phenylethyl heptanoate #
    • NSC 23063
    • SCHEMBL4353439
    • Phenylethyl n-heptanoate
    • EINECS 226-701-3
    • NS00044484
    • Heptanoic acid, 2-phenylethyl ester
    • 5454-11-5
    • 2-Phenylethyl heptanoate
    • NSC23063
    • YMPDQHXHLKFWNN-UHFFFAOYSA-N
    • 8WU2547VZA
    • Phenethyl alcohol, heptanoate
    • Inchi： 1S/C15H22O2/c1-2-3-4-8-11-15(16)17-13-12-14-9-6-5-7-10-14/h5-7,9-10H,2-4,8,11-13H2,1H3
    • InChI Key： YMPDQHXHLKFWNN-UHFFFAOYSA-N
    • SMILES： O(CCC1C=CC=CC=1)C(CCCCCC)=O

Computed Properties

  • Exact Mass: 234.16200
  • Monoisotopic Mass: 234.162
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 9
  • Complexity: 195
  • 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
  • Topological Polar Surface Area: 26.3A^2
  • XLogP3: 4.5

Experimental Properties

  • Density: 0.971
  • Boiling Point: 321.1 oC at 760 mmHg
  • Flash Point: 114.1 oC
  • Refractive Index: 1.492
  • PSA: 26.30000
  • LogP: 3.74270

Heptanoic acid,2-phenylethyl 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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