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benzyl isobutyrate

CAS 103-28-6C11H14O2MW 178.10 g/mol

benzyl isobutyrate (CAS 103-28-6) — formula C11H14O2, molecular weight 178.10 g/mol; category organic chemicals.

Product Overview

CAS Number103-28-6
Molecular FormulaC11H14O2
Molecular Weight178.10 g/mol
Boiling Point229.00 to 230.00 °C. @ 760.00 mm Hg
LogP3
CategoryOrganic Chemicals

Technical Profile

What this product is

benzyl isobutyrate is a carbon-based organic compound with CAS registry number 103-28-6 and molecular formula C11H14O2 (molecular weight 178.10 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 103-28-6

Its molecular formula C11H14O2 comprises 11 C, 14 H, 2 O atoms.

Also known as: benzyl isobutyrate · 异丁酸苯甲酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of benzyl isobutyrate?

The CAS registry number of benzyl isobutyrate is 103-28-6.

What is the molecular formula and molecular weight of benzyl isobutyrate?

Molecular formula C11H14O2, molecular weight 178.10 g/mol.

What other names is benzyl isobutyrate known by?

It is also registered under: benzyl isobutyrate, 异丁酸苯甲酯.

Which category does benzyl isobutyrate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for benzyl isobutyrate (CAS 103-28-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number103-28-6
PubChem CID7646
Molecular formulaC11H14O2
Molecular weight178.10 g/mol
IUPAC namebenzyl 2-methylpropanoate
InChIKeyUIKJRDSCEYGECG-UHFFFAOYSA-N
UNII (FDA)P98PE45V9M
ChEBI IDCHEBI:173823
FEMA number2141
JECFA number844

Computed descriptors

Molecular Weight178.23
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass178.099379685
Monoisotopic Mass178.099379685
Topological Polar Surface Area26.3
Heavy Atom Count13

Physicochemical values on record

Boiling Point229.00 to 230.00 °C. @ 760.00 mm Hg
Boiling Point229 °C
Density1.000-1.006
Refractive Index1.488-1.492

Documented uses on record

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    Synonyms and trade names

    Benzyl isobutyrate; 103-28-6; Benzyl 2-methylpropanoate; Phenylmethyl 2-methylpropanoate; Benzyl isobutanoate; Propanoic acid, 2-methyl-, phenylmethyl ester; ISOBUTYRIC ACID, BENZYL ESTER; Benzyl 2-methylpropionate; Benzyl 2-methyl propionate; Benzylester kyseliny isomaselne; FEMA No. 2141; MFCD00048315; DTXSID6047602; P98PE45V9M; NSC-46112; NSC-406201

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Fruit
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary96% (1604 / 1670)

    GHS hazard classification

    GHS notification summary96% (1604 / 1670)

    This chemical does not meet GHS hazard criteria for 96% (1604 of 1670) of all reports.

    Reported as not meeting GHS hazard criteria by 1604 of 1670 companies (only 4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

    What the public record says

    benzyl isobutyrate is identified by CAS 103-28-6, molecular formula C11H14O2 and molecular weight 178.10 g/mol. UNII P98PE45V9M; ChEBI 173823; InChIKey UIKJRDSCEYGECG-UHFFFAOYSA-N. Boiling Point: 229.00 to 230.00 °C. @ 760.00 mm Hg; Boiling Point: 229 °C; Density: 1.000-1.006.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

中文页面: 异丁酸苯甲酯

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