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2-Phenylpropionic acid

2-Phenylpropionic acid structure

CAS No:
492-37-5
Formula:
C9H10O2
Chemical Name:
2-Phenylpropionic acid
Synonyms:
Benzeneacetic acid,α-methyl-;Hydratropic acid;α-Methylbenzeneacetic acid;2-Phenylpropionic acid;α-Phenylpropionic acid;2-Phenylpropanoic acid;α-Methylphenylacetic acid;(±)-Hydratropic acid;(±)-2-Phenylpropionic acid;(±)-α-Methylphenylacetic acid;(±)-2-Phenylpropanoic acid;(RS)-2-Phenylpropionic acid;dl-PPA;DL-2-Phenylpropionic acid;(RS)-2-Phenylpropanoic acid;NSC 245033;NSC 42872;α-Phenylpropanoic acid;2328-24-7
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

Description

2-Phenylpropionic acid is an intermediate in alpha-Methylstyrene metabolism.

Solid

Hydratropic acid is a 2-arylpropionic acid carrying a phenyl group at position 2. It is a metabolite of alpha-methylstyrene (AMS), a volatile hydrocarbon. It has a role as a human xenobiotic metabolite. It derives from a phenylacetic acid.

2-Phenylpropionic acid Basic Attributes

Molecular Weight：

150.17

Exact Mass：

150.17

EC Number：

207-752-0

NSC Number：

245033|245032|42872

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

1.9

Appearance：

Solid

Density：

1.1±0.1 g/cm3

Melting Point：

46 °C

Boiling Point：

261 °C

Flash Point：

148 ºC

Refractive Index：

1.5215-1.5235

Water Solubility：

10 g/L (20 ºC)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

Drug Information

MeSH Entry Terms：

2-phenylpropionic acid

2-Phenylpropionic acid Use and Manufacturing

Uses

2-Phenylpropionic acid is used in the preparation of ibuprofen derivatives for their anti-inflammatory activity. Also used in nucleation inhibitors in Dutch resolution of diastereomers.

Manufacturing Info：

Benzeneacetic acid, .alpha.-methyl-: INACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:150.17
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:150.068079557
Monoisotopic Mass:150.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:137
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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hydratropic acid

CAS No.: 492-37-5

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DL-2-Phenylpropionic acid

CAS No.: 492-37-5

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