Methyl phenylglyoxalate
Grundinformationen
- CAS
15206-55-0- Standard-SMILES
COC(=O)C(=O)c1ccccc1- InChIKey
YLHXLHGIAMFFBU-UHFFFAOYSA-N- Summenformel
- C9H8O3
- Durchschnittliche Molmasse
- 164,16 g/mol
- Monoisotopische Masse
- 164,04734411
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- Methyl phenylglyoxalate
- IUPAC
- methyl 2-oxo-2-phenylacetate
- Englischer Name
- methyl 2-oxo-2-phenyl-acetate
- Summenformel
- C9H8O3
- Molmasse
- 0
Namen und Synonyme
Methyl benzoylformate15206-55-0methyl 2-oxo-2-phenylacetateMethyl phenylglyoxalateMethyl oxophenylacetateMethyl phenylglyoxylateBenzoylformic acid methyl esterPhenylglyoxylic acid methyl esterBenzeneacetic acid, .alpha.-oxo-, methyl esterPhenylglyoxylic acid, methyl estermethyl oxo(phenyl)acetateGlyoxylic acid, phenyl-, methyl ester
Weitere Namen anzeigen
alpha-oxobenzeneacetic acid methyl esterNSC 1712062-Oxo-2-phenylacetic acid methyl ester23F2045STGBenzeneacetic acid, alpha-oxo-, methyl esterEINECS 239-263-3NSC-171206NSC-409881
Datenbank-Bezeichner
- 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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 43,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 180
Experimentelle und physikochemische Eigenschaften
Physical DescriptionLarge Crystals; Liquid
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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]
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.
Gefahrenhinweise
Regulatory Information
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)
REACH registered substance: Methyl benzoylformate (EC: 239-263-3)
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%)
Sicherheitsdaten
- hs_code
- 2918300090
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesPhotosensitive agent
Industry UsesTanning agents not otherwise specified
General Manufacturing Information
Adhesive Manufacturing
Benzeneacetic acid, .alpha.-oxo-, methyl ester: ACTIVE
Zugehörige Reaktionen
44
Notizen zur Verbindung
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