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Phenylpyruvic acid

Phenylpyruvic acid structure

CAS No:
156-06-9
Formula:
C9H8O3
Chemical Name:
Phenylpyruvic acid
Synonyms:
Benzenepropanoic acid,α-oxo-;Pyruvic acid,phenyl-;α-Oxobenzenepropanoic acid;Phenylpyruvic acid;3-Phenylpyruvic acid;β-Phenylpyruvic acid;2-Oxo-3-phenylpropanoic acid;3-Phenyl-2-oxopropanoic acid;Phenylpyroracemic acid;2-Oxo-3-phenylpropionic acid;1129287-56-4
Categories:
Chemical Reagents > Organic Reagents

Description

2-Oxo-3-phenylpropanoic acid is used in the synthesis of 3-phenyllactic acid (PLA) by lactate dehydrogenase.

Solid|White crystalline powder

Keto-phenylpyruvic acid is 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. It has a role as a fundamental metabolite, a chromogenic compound and an EC 6.4.1.1 (pyruvate carboxylase) inhibitor. It derives from a pyruvic acid. It is a conjugate acid of a keto-phenylpyruvate. It is a tautomer of an enol-phenylpyruvic acid.

Phenylpyruvic acid Basic Attributes

Molecular Weight：

164.158

Exact Mass：

164.16

EC Number：

205-847-1

UNII：

X7CO62M413

DSSTox ID：

DTXSID1042281

HScode：

2918300090

Characteristics

PSA：

54.37000

XLogP3：

0.54

Appearance：

Solid

Density：

1.3±0.1 g/cm3

Melting Point：

157 °C

Boiling Point：

299.1±19.0 °C at 760 mmHg

Flash Point：

148.9±18.0 °C

Refractive Index：

1.557

Water Solubility：

112 mg/mL

Storage Conditions：

-20ºC

Vapor Pressure：

0.000546mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S22-S24/25

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

Drug Information

MeSH Entry Terms：

3-phenylpyruvate

Phenylpyruvic acid Use and Manufacturing

Manufacturing Info：

Benzenepropanoic acid, .alpha.-oxo-: INACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:164.16
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:164.047344113
Monoisotopic Mass:164.047344113
Topological Polar Surface Area:54.4
Heavy Atom Count:12
Complexity:180
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Phenylpyruvic acid, CAS:156-06-9

Unit Price: $10-12 /KG FOB

CAS No.: 156-06-9

Grade: Food Grade

Content: 99%

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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2-Oxo-3-phenylpropanoic acid

CAS No.: 156-06-9

Content: 99.00%

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