Cas no 103-28-6 (benzyl isobutyrate)

benzyl isobutyrate structure
benzyl isobutyrate structure
Product Name:benzyl isobutyrate
CAS No:103-28-6
MF:C11H14O2
MW:178.227663516998
MDL:MFCD00048315
CID:35213
PubChem ID:87571777
Update Time:2025-04-18

benzyl isobutyrate Chemical and Physical Properties

Names and Identifiers

    • benzyl isobutyrate
    • Benzyl isobutyrate (Isobutyric acid benzyl ester)
    • Isobutyric acid benzyl ester
    • benzyl 2-methylpropanoate
    • Benzyl isobutanoate
    • FEMA 2141
    • Benzylisobutyrat
    • Isobutyric acid b
    • BENZYL 2-METHYLPROPIONATE
    • BENZYL ISOBUTYRATE, NATURAL
    • Benzyl isobutyrate, 98+%
    • MDL: MFCD00048315
    • Inchi: 1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
    • InChI Key: UIKJRDSCEYGECG-UHFFFAOYSA-N
    • SMILES: CC(C(OCC1C=CC=CC=1)=O)C
    • BRN: 1869299

Computed Properties

  • Exact Mass: 178.09900
  • Monoisotopic Mass: 178.09938
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 158
  • 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
  • Surface Charge: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 26.3

Experimental Properties

  • Color/Form: Colorless liquid with jasmine and fruit aromas
  • Density: 0.99
  • Boiling Point: 230°C
  • Flash Point: 138?°F
  • Refractive Index: n20/D 1.49(lit.)
  • PSA: 26.30000
  • LogP: 2.38580
  • FEMA: 2141
  • Solubility: Soluble in ethanol and most non-volatile oils, slightly soluble in propylene glycol, insoluble in glycerol

benzyl isobutyrate Security Information

  • Prompt:warning
  • Hazard Statement: H303
  • Warning Statement: P312
  • Hazardous Material transportation number:UN 3272 3/PG 3
  • WGK Germany:1
  • Hazard Category Code: R10: flammable.
  • Safety Instruction: S16-S24/25
  • RTECS:NQ4550000
  • TSCA:Yes
  • Safety Term:S24/25
  • Risk Phrases:R10

benzyl isobutyrate Customs Data

  • HS CODE:2915600000
  • 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%

benzyl isobutyrate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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benzyl isobutyrate Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: 2111193-89-4 Solvents: Benzene-d6 ;  1.5 h, rt
1.2 Reagents: Methanol ,  Oxygen ;  rt
Reference
Thorium complexes possessing expanded ring N-heterocyclic iminato ligands: synthesis and applications
Ghatak, Tapas; et al, Dalton Transactions, 2017, 46(36), 12005-12009

benzyl isobutyrate Raw materials

benzyl isobutyrate Preparation Products

benzyl isobutyrate Related Literature

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