CAS 15206-55-0 Methyl phenylglyoxalate (HCID 84835)

Names & identifiers

Preferred name: Methyl phenylglyoxalate
IUPAC: methyl 2-oxo-2-phenylacetate
English name: methyl 2-oxo-2-phenyl-acetate
Molecular formula: C9H8O3
Molecular weight: 0

Names & synonyms

Methyl benzoylformate15206-55-0methyl 2-oxo-2-phenylacetateMethyl phenylglyoxalateMethyl oxophenylacetateMethyl phenylglyoxylateBenzoylformic acid methyl esterPhenylglyoxylic acid methyl esterPhenylglyoxylic acid, methyl esterBenzeneacetic acid, .alpha.-oxo-, methyl estermethyl oxo(phenyl)acetateGlyoxylic acid, phenyl-, methyl ester

Show more names

NSC 171206alpha-oxobenzeneacetic acid methyl ester23F2045STGBenzeneacetic acid, alpha-oxo-, methyl esterEINECS 239-263-3NSC-171206NSC-4098812-Oxo-2-phenylacetic acid methyl ester

Database identifiers

CAS: 15206-55-0、81065-82-9
PubChem CID: 84835
DTXSID: DTXSID9065867
ChEBI: CHEBI:84256
UNII: 23F2045STG
EC Number: 239-263-3
Nikkaji: J60.885H

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 180

Experimental & physicochemical properties

Physical DescriptionLarge Crystals; Liquid

Kovats Retention Index1335.1

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 17.1% (48 of 280) of reports.

Warning

H315 (26.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (56.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (26.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (26.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 280 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 48 of 280 reports by companies.；There are 6 notifications provided by 232 of 280 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 4 items

Chemical: Benzeneacetic acid, .alpha.-oxo-, methyl ester

Benzeneacetic acid, .alpha.-oxo-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzeneacetic acid, .alpha.-oxo-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 19-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16435；Status: Cease Manufacture Update: 18-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6562

Benzeneacetic acid, .alpha.-oxo-, methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (26.4%)；Skin Sens. 1 (56.1%)；Eye Irrit. 2A (26.8%)；STOT SE 3 (26.4%)

Regulatory information

Regulatory Information · 4 items

Chemical: Benzeneacetic acid, .alpha.-oxo-, methyl ester

Benzeneacetic acid, .alpha.-oxo-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzeneacetic acid, .alpha.-oxo-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 19-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16435；Status: Cease Manufacture Update: 18-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6562

Benzeneacetic acid, .alpha.-oxo-, methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 100,000 - <250,000 lb；2022: 50,000 - <75,000 lb；2021: 100,000 - <250,000 lb；2020: 25,000 - <50,000 lb

Consumer UsesPhotosensitive agent；Not Known or Reasonably Ascertainable

Industry UsesTanning agents not otherwise specified；Photosensitive agent；Not Known or Reasonably Ascertainable

General Manufacturing Information · 2 items

Adhesive Manufacturing；Not Known or Reasonably Ascertainable；Plastics Material and Resin Manufacturing；Paint and Coating Manufacturing；Printing Ink Manufacturing

Benzeneacetic acid, .alpha.-oxo-, methyl ester: ACTIVE

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

Additional notes · 1 item

DefinitionChEBI: Methyl phenylglyoxalate is the methyl ester of phenylglyoxylic acid with methanol. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It is a methyl ester and an alpha-ketoester. It is functionally related to a phenylglyoxylic acid.