Phenylpyruvic acid (HCID 997)

Names & identifiers

Preferred name: Phenylpyruvic acid
IUPAC: 2-oxo-3-phenylpropanoic acid
English name: 3-Phenylpyruvic acid
Molecular formula: C9H8O3
Molecular weight: 164.16

Names & synonyms

phenylpyruvic acid156-06-92-Oxo-3-phenylpropanoic acid3-Phenylpyruvic acidbeta-Phenylpyruvic acid3-Phenyl-2-oxopropanoic acid2-OXO-3-PHENYLPROPIONIC ACIDketo-phenylpyruvic acidBenzenepropanoic acid, alpha-oxo-alpha-ketohydrocinnamic acidDTXSID10422812-Oxo-3-phenylpropanic acid

Show more names

phenylpyruvicL-PHENYLPYRUVICACIDBENZYLGLYOXYLIC ACIDPhenylpyruvicAcid>Pyruvic acid, phenyl-

CHEBI:30851X7CO62M413alpha-oxo-benzenepropanoic acidDTXCID9022281RefChem:861822205-847-1phenylpyruvatePyruvic acid, phenyl-

Database identifiers

CAS: 156-06-9
PubChem CID: 997
DTXSID: DTXSID1042281
ChEMBL: CHEMBL1162488
ChEBI: CHEBI:30851
UNII: X7CO62M413
EC Number: 205-847-1
Nikkaji: J11.025F

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 180

Physicochemical properties

Melting point: 150 · 150-154 °C (lit.)
Boiling point: 299.1 · 299.1±19.0 °C(Predicted)
Density: 1.257 · 1.257±0.06 g/cm3(Predicted)
FEMA: 3892 · 3892 | 2-OXO-3-PHENYLPROPIONIC ACID
FLAVIS Number: 8.109 · 08.109 | 3-Phenylpyruvic acid
storage temp.: -20 °C · -20°C
solubility: Soluble in DMSO
pka: 2.61 · 2.61±0.54(Predicted)
form: powder to crystal
color: White to Light yellow
Odor: 100 % · at 100.00 %. sweet acidic honey almond weedy phenolic green
Odor Type: honey
Sensitive: Light & Air Sensitive & Hygroscopic
JECFA Number: 1479 · 1479
BRN: 2207312 · 2207312
Major Application: cleaning productscosmeticsfood and beveragespersonal care
InChI: 1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChIKey: BTNMPGBKDVTSJY-UHFFFAOYSA-N
SMILES: OC(=O)C(=O)Cc1ccccc1
LogP: 0.54 · 0.54
CAS DataBase Reference: 156 · 156-06-9(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS): 2 · 2-OXO-3-PHENYLPROPIONIC ACID
FDA UNII: 7 CO62M413 · X7CO62M413
NIST Chemistry Reference: Benzenepropanoic acid, «alpha»-oxo-(156-06-9)
EPA Substance Registry System: Phenylpyruvic acid (156-06-9)
UNSPSC Code: 12352106 · 12352106
NACRES: 24 · NA.24
Symbol(GHS): 2 · GHS02,GHS06,GHS07,GHS08
Signal word: Danger
Hazard statements: 225 · H225-H301-H315-H319-H330-H334-H335
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243-P260-P261-P264-P270-P271-P280-P284-P285-P301+P310-P302+P352-P303+P361+P353-P304-P304+P340-P304+P341-P305+P351+P338-P310-P312-P320-P321-P330-P332+P313-P337+P313-P340-P342+P311-P362-P370+P378-P403-P403+P233-P403+P235-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-24/25-36-26
WGK Germany: 3 · 3
F: 3 · 3-8-10-23
TSCA: TSCA listed
HS Code: 29183000 · 29183000
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

F: 3-8-10-23
wgk: 3
tsca: TSCA listed
hs_code: 29183000
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS06,GHS07,GHS08
hazard_code: Xi
safety_code: 22-24/25-36-26
Storage Class: 11 - Combustible Solids
Hazard statements: H225-H301-H315-H319-H330-H334-H335
Precautionary statements: P210-P233-P240-P241-P242-P243-P260-P261-P264-P270-P271-P280-P284-P285-P301+P310-P302+P352-P303+P361+P353-P304-P304+P340-P304+P341-P305+P351+P338-P310-P312-P320-P321-P330-P332+P313-P337+P313-P340-P342+P311-P362-P370+P378-P403-P403+P233-P403+P235-P405-P501

Chemistry & industry

Applications

Usesα-Oxobenzenepropanoic Acid is a useful reagent for organic synthesis.

General DescriptionPhenylpyruvic acid reduces glucose-6-phosphate dehydrogenase activity without pre-incubation.

Upstream & downstream products

Upstream raw materials

L-Phenylalanine

Downstream products

NSC82194 2-oxo-3-phenyl-propanal

Suppliers50 total

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

Additional notes

DefinitionChEBI: A 2-oxo monocarboxylic acid that is 3-phenylpropanoic acid substituted by an oxo group at position 2. It is an intermediate metabolite in the phenylalanine pathway.