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Ethyl benzoylacetate

CAS 94-02-0C11H12O3MW 192.08 g/mol

Ethyl benzoylacetate (CAS 94-02-0) — formula C11H12O3, molecular weight 192.08 g/mol; category organic chemicals.

Product Overview

CAS Number94-02-0
Molecular FormulaC11H12O3
Molecular Weight192.08 g/mol
Melting Point< 0 °C
Boiling Point265.00 to 270.00 °C. @ 760.00 mm Hg
LogP1.87
CategoryOrganic Chemicals

Technical Profile

What this product is

Ethyl benzoylacetate is a carbon-based organic compound with CAS registry number 94-02-0 and molecular formula C11H12O3 (molecular weight 192.08 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 94-02-0

Its molecular formula C11H12O3 comprises 11 C, 12 H, 3 O atoms.

Also known as: Ethyl benzoylacetate · 苯甲酰乙酸乙酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Ethyl benzoylacetate?

The CAS registry number of Ethyl benzoylacetate is 94-02-0.

What is the molecular formula and molecular weight of Ethyl benzoylacetate?

Molecular formula C11H12O3, molecular weight 192.08 g/mol.

What other names is Ethyl benzoylacetate known by?

It is also registered under: Ethyl benzoylacetate, 苯甲酰乙酸乙酯.

Which category does Ethyl benzoylacetate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for Ethyl benzoylacetate (CAS 94-02-0), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number94-02-0
PubChem CID7170
Molecular formulaC11H12O3
Molecular weight192.08 g/mol
IUPAC nameethyl 3-oxo-3-phenylpropanoate
InChIKeyGKKZMYDNDDMXSE-UHFFFAOYSA-N
UNII (FDA)K8CHJ4MKM0
ChEBI IDCHEBI:173927
FEMA number2423
JECFA number834

Computed descriptors

Molecular Weight192.21
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass192.078644241
Monoisotopic Mass192.078644241
Topological Polar Surface Area43.4
Heavy Atom Count14

Physicochemical values on record

Boiling Point265.00 to 270.00 °C. @ 760.00 mm Hg
Boiling Point147 °C (11 mm Hg)
Melting Point< 0 °C
Density1.107-1.120
LogP1.87
Refractive Index1.524-1.533

Documented uses on record

    Used as a flavoring agent; [FDA]Flavoring Agents -> JECFA Flavorings Index

    Synonyms and trade names

    ETHYL BENZOYLACETATE; 94-02-0; Ethyl benzoyl acetate; Benzoylacetic acid ethyl ester; Acetic acid, benzoyl-, ethyl ester; Benzenepropanoic acid, beta-oxo-, ethyl ester; FEMA No. 2423; DTXSID4047094; K8CHJ4MKM0; NSC-6774; NSC-227214; DTXCID2027094; RefChem:1085027; 202-295-3; Ethyl 3-oxo-3-phenylpropanoate; Ethyl beta-oxobenzenepropanoate

    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 summary98.2% (107 / 109)

    GHS hazard classification

    GHS notification summary98.2% (107 / 109)

    This chemical does not meet GHS hazard criteria for 98.2% (107 of 109) of all reports.

    Reported as not meeting GHS hazard criteria by 107 of 109 companies (only 1.8% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

    What the public record says

    Ethyl benzoylacetate is identified by CAS 94-02-0, molecular formula C11H12O3 and molecular weight 192.08 g/mol. UNII K8CHJ4MKM0; ChEBI 173927; InChIKey GKKZMYDNDDMXSE-UHFFFAOYSA-N. Boiling Point: 265.00 to 270.00 °C. @ 760.00 mm Hg; Boiling Point: 147 °C (11 mm Hg); Melting Point: < 0 °C.

    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: 苯甲酰乙酸乙酯

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