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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 15349Generated: October 23, 2026

Ethyl benzoylformate

ETHYL 2-OXO-2-PHENYLACETATE · ETHYL PHENYLGLYOXYLATE · Benzeneacetic acid, .alpha.-oxo-, ethyl ester · Ethyl oxophenyla · RARECHEM AL BI 0384 · ETHYL BENZOYLFORMATE · PHENYLETHYLGLYOXYLATE · Ethyloxophenylacetate

https://huagongshe.com/en/chemical/15349

Ethyl benzoylformate molecular structure

Identifiers & Physical Properties

CAS No.1603-79-8
Molecular formulaC10H10O3
Average molar mass178.18 g/mol
Monoisotopic mass178.06299418 g/mol
SMILESCCOC(=O)C(=O)c1ccccc1
InChIKeyQKLCQKPAECHXCQ-UHFFFAOYSA-N
PubChem CID15349
ChEBICHEBI:84260
EC No.216-504-0
DTXSIDDTXSID1061815

Chemical & Physical Properties

XLogP2
Topological polar surface area43.4
Hydrogen bond donors0
Hydrogen bond acceptors3
Rotatable bonds4
Heavy atoms13
Formal charge0
Complexity192
Chemical classesOther Classes -> Esters, Other
SpringerMaterials PropertiesChemical shift
Physical DescriptionLight yellow or yellow liquid[Alfa Aesar MSDS]
Boiling point138-139 °C/18 mmHg (lit.)
Density1.122 g/mL at 25 °C (lit.)
Refractive index1.515-1.517
Flash point113 °C
Storage conditionsStore below +30°C.
Physical stateLiquid
Specific gravity1.122
ColorClear colorless to greenish
SolubilitySoluble in water 1143 mg/L @ 25°C .
SensitivityMoisture Sensitive
InChIInChI=1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyQKLCQKPAECHXCQ-UHFFFAOYSA-N
SMILESC1(C=CC=CC=1)C(=O)C(=O)OCC
LogP (partition coefficient)1.974 (est)
CAS DataBase Reference1603-79-8(CAS DataBase Reference)
FDA UNIIAMN28N4D74
NIST Chemistry ReferenceBenzeneacetic acid, «alpha»-oxo-, ethyl ester(1603-79-8)
EPA Substance Registry SystemBenzeneacetic acid, .alpha.-oxo-, ethyl ester (1603-79-8)
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS05,GHS07
Signal wordDanger
GHS hazard statementsH302-H314-H227
GHS precautionary statementsP501-P270-P210-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Personal protective equipment (PPE)Eyeshields, Gloves
Hazard symbolsXi
Safety statements (S)24/25
Water hazard class (WGK)3
Hazard NoteMoisture Sensitive
TSCA inventory statusTSCA listed
Hazard classIRRITANT
Customs code29183000
Storage class10 - Combustible liquids
REACH registrationsInactive

Safety & Regulations

GHS classificationThis chemical does not meet GHS hazard criteria for 97.4% (38 of 39) of all reports.Not ClassifiedAggregated GHS information provided per 39 reports by companies from 3 notifications to the ECHA C&L Inventory.
Regulatory informationStatus: Cease Manufacture Update: 21-07-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/12328Benzeneacetic acid, .alpha.-oxo-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards summaryMay cause irritation[Alfa Aesar MSDS]
Hazard Classes and CategoriesNot Classified
Personal protective equipment (PPE)Eyeshields, Gloves
Water hazard class (WGK)3
TSCA inventory statusTSCA listed
Customs code29183000
Signal wordDanger
GHS pictogramGHS05,GHS07
Hazard symbolsXi
hazard_noteMoisture Sensitive
Safety statements (S)24/25
Hazard classIRRITANT
Storage class10 - Combustible liquids
GHS hazard statementsH302-H314-H227
REACH registrationsInactive
GHS precautionary statementsP501-P270-P210-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405

Applications & Uses

Uses

Ethyl Benzoylformate is a general chemical reagent used in the preparation of diaminoethanediyl bismethylpyridinium salts for designing recyclable organocatalysts.

General Description

Enantioselective hydrogenation of ethyl benzoylformate on Pt/Al2O3 modified with dihydrocinchonidine has been studied.