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4-Hydroxyphenylpyruvic acid

4-Hydroxyphenylpyruvic acid structure

CAS No:
156-39-8
Formula:
C9H8O4
Chemical Name:
4-Hydroxyphenylpyruvic acid
Synonyms:
Benzenepropanoic acid,4-hydroxy-α-oxo-;Pyruvic acid,(p-hydroxyphenyl)-;4-Hydroxy-α-oxobenzenepropanoic acid;4-Hydroxyphenylpyruvic acid;(p-Hydroxyphenyl)pyruvic acid;3-(p-Hydroxyphenyl)-2-oxopropionic acid;Testacid;3-(p-Hydroxyphenyl)pyruvic acid;HPPA;3-(4-Hydroxyphenyl)pyruvic acid;3-(4-Hydroxyphenyl)-2-oxopropionic acid;NSC 100738;NSC 666757;3-(4-Hydroxyphenyl)-2-oxopropanoic acid;854280-03-8
Categories:
Industrial Coatings > Coating Additive

Description

4-Hydroxyphenylpyruvic acid is an intermediate in the metabolism of the amino acid phenylalanine.

Solid

4-hydroxyphenylpyruvic acid is a 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. It has a role as a human metabolite. It is a member of phenols and a 2-oxo monocarboxylic acid. It derives from a pyruvic acid. It is a conjugate acid of a 3-(4-hydroxyphenyl)pyruvate.

4-Hydroxyphenylpyruvic acid Basic Attributes

Molecular Weight：

180.15700

Exact Mass：

180.16

EC Number：

205-852-9

UNII：

0YP1694WNQ

NSC Number：

666757|100738

DSSTox ID：

DTXSID80166017

HScode：

2918990090

Characteristics

PSA：

74.60000

XLogP3：

0.58840

Appearance：

Solid

Density：

1.397 g/cm3

Melting Point：

218 °C

Boiling Point：

123 °C @ Press: 0.03 Torr

Flash Point：

198.3ºC

Refractive Index：

1.705

Water Solubility：

slightly soluble

Storage Conditions：

2-8ºC

Vapor Pressure：

0mmHg at 25°C

Collision Cross Section：

145.75 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|147.1 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

RTECS Number：

UZ1000000

Marks：

Xi: Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Drug Information

MeSH Entry Terms：

(p-hydroxyphenyl)pyruvic acid

Computed Properties

Molecular Weight:180.16
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:180.04225873
Monoisotopic Mass:180.04225873
Topological Polar Surface Area:74.6
Heavy Atom Count:13
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 156-39-8

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Guide of 4-Hydroxyphenylpyruvic acid

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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4-Hydroxyphenylpyruvic acid

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