Ethyl benzoylacetate

Description

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.

Identification

CAS Registry Number	94-02-0
PubChem CID	7170
Molecular formula	C11H12O3
Molecular weight	192.08 g/mol
IUPAC name	ethyl 3-oxo-3-phenylpropanoate
InChIKey	GKKZMYDNDDMXSE-UHFFFAOYSA-N
UNII (FDA)	K8CHJ4MKM0
ChEBI ID	CHEBI:173927
FEMA number	2423
JECFA number	834

Computed Descriptors

Molecular Weight	192.21
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	192.078644241
Monoisotopic Mass	192.078644241
Topological Polar Surface Area	43.4
Heavy Atom Count	14
Formal Charge	0

Physical & Chemical Properties

Boiling Point	265.00 to 270.00 °C. @ 760.00 mm Hg
Boiling Point	147 °C (11 mm Hg)
Melting Point	< 0 °C
Density	1.107-1.120
LogP	1.87
Refractive Index	1.524-1.533

Physical description & handling notes

• Liquid with a pleasant odor; Turns yellow from light and air; [Merck Index] Colorless or yellow liquid; [Alfa Aesar MSDS]
• Liquid
• colourless to light yellow liquid with a brandy-like, woody, cherry, phenolic odour
• insoluble in water; soluble in organic solvents, oils
• miscible at room temperature (in ethanol)
• 155.9 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4047094]

Regulatory Status

Regulatory & Food Contact	EU 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 summary	98.2% (107 / 109)

GHS Hazard Classification

GHS notification summary	98.2% (107 / 109)

Documented Uses

• Used as a flavoring agent; [FDA]
• Flavoring Agents -> JECFA Flavorings Index
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Benzenepropanoic acid, .beta.-oxo-, ethyl ester: ACTIVE

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of Ethyl benzoylacetate?

CAS 94-02-0; molecular formula C11H12O3; molecular weight 192.08 g/mol.

What other names is Ethyl benzoylacetate known by?

ETHYL BENZOYLACETATE, 94-02-0, Ethyl benzoyl acetate, Benzoylacetic acid ethyl ester, Acetic acid, benzoyl-, ethyl ester, Benzenepropanoic acid, beta-oxo-, ethyl ester.

What is the regulatory status of Ethyl benzoylacetate?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Ethyl benzoylacetate classified as hazardous?

98.2% of GHS notifications report no hazard classification (107 of 109).

What are the key physical properties of Ethyl benzoylacetate?

Boiling Point: 265.00 to 270.00 °C. @ 760.00 mm Hg; Boiling Point: 147 °C (11 mm Hg); Melting Point: < 0 °C; Density: 1.107-1.120.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.