Cas no 10361-39-4 (Benzyl n-valerate)

Benzyl n-valerate (C12H16O2) is an ester compound formed by the reaction of benzyl alcohol and n-valeric acid. It is characterized by a fruity, floral aroma, making it valuable in fragrance and flavor applications. The compound exhibits good stability under standard conditions, with a relatively high boiling point and low volatility, ensuring consistent performance in formulations. Its ester linkage provides moderate reactivity, allowing for controlled modifications in synthetic chemistry. Benzyl n-valerate is also used as a solvent or intermediate in organic synthesis due to its balanced polarity and solubility properties. The product is typically supplied as a clear, colorless to pale yellow liquid with minimal impurities.
Benzyl n-valerate structure
Benzyl n-valerate structure
Product Name:Benzyl n-valerate
CAS No:10361-39-4
MF:C12H16O2
MW:192.254243850708
MDL:MFCD00053798
CID:180778
Update Time:2025-10-08

Benzyl n-valerate Chemical and Physical Properties

Names and Identifiers

    • Benzyl n-valerate
    • benzyl pentanoate
    • Benzyl valerate
    • Benzylvalerat
    • pentanoic acid benzyl ester
    • Pentanoic acid,phenylmethyl ester
    • Valeriansaeure-benzylester
    • Valeric acid benzyl ester
    • benzylvalerate
    • MDL: MFCD00053798
    • Inchi: 1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
    • InChI Key: YZJCDVRXBOPXSQ-UHFFFAOYSA-N
    • SMILES: CCCCC(OCC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 192.11500
  • Monoisotopic Mass: 192.115
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 160
  • 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
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Density: 0.994?g/mL?at 20?°C(lit.)
  • Boiling Point: 259.8°C at 760 mmHg
  • Flash Point: 102.9°C
  • Refractive Index: n20/D 1.490
  • PSA: 26.30000
  • LogP: 2.92000

Benzyl n-valerate Security Information

  • WGK Germany:3
  • Hazard Category Code: 41-43
  • Safety Instruction: S26; S36/37/39
  • Hazardous Material Identification: Xi
  • Safety Term:Hazard Codes XiRisk Statements 41-43Safety Statements 26-36/37/39WGK Germany 3
  • Risk Phrases:R41; R43

Benzyl n-valerate Customs Data

  • HS CODE:2915600000
  • Customs Data:

    China Customs Code:

    2915600000

    Overview:

    HS:2915600000 butyrate\Valeric acid, its salts and esters VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2915600000 butanoic acids and pentanoic acids and their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Benzyl n-valerate Pricemore >>

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abcr
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