2-Phenylbutanoic acid

Basic Information

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CAS Number

90-27-7

Molecular Formula

C10H12O2

Molecular Weight

164.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

42.0 to 45.0 deg-C

Boiling Point

272°C

Density

0,62 g/cm3

Refractive Index

1.515

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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CCC(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)

InChIKey

OFJWFSNDPCAWDK-UHFFFAOYSA-N

LogP

2.2648

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

148

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

KBio2_002153
2-Phenylbutyric acid, 98%
2-phenylbutanoate
a-Ethyl-a-toluic acid
Spectrum3_001664
BRN 0509876
PD065554
A843486
alpha-Ethylbenzeneacetic acid
a-Ethylphenylacetic acid
NSC-1860
alpha-Toluic acid, alpha-ethyl-
FT-0613342
a-Phenylbutyrate
alpha-Ethyl-alpha-toluate
CHEBI:86545
KBioGR_001212
alpha-Phenylbutyrate
KBio2_004721
2-Phenylbutyric acid
alpha-Ethylbenzeneacetate
SCHEMBL1715
STL163589
90-27-7
Benzeneacetic acid, .alpha.-ethyl-
SPBio_000439
BBL012274
alpha-Phenylbutyric acid
Spectrum5_001396
2-phenylsmorsyre
(RS)-2-Phenylbutanoic acid

MDL Number

MFCD00002667

Customs Code

29163900

FAQ

What is 2-Phenylbutanoic acid (CAS: 90-27-7)?

2-Phenylbutanoic acid, with the CAS number 90-27-7, is an organic compound that belongs to the class of carboxylic acids. It has the chemical formula C10H12O2 and is characterized by a butanoic acid backbone substituted with a phenyl group. This compound is commonly used in the synthesis of various pharmaceuticals and organic materials due to its versatile chemical structure.

What are the main uses of 2-Phenylbutanoic acid (CAS: 90-27-7)?

2-Phenylbutanoic acid (CAS: 90-27-7) is widely used in pharmaceutical research for the development of drugs targeting metabolic disorders and neurological conditions. It also finds applications in the production of pesticides, dyes, and other industrial chemicals. Additionally, it serves as a key intermediate in organic synthesis and is used in food-related research for flavor and fragrance development.

Is 2-Phenylbutanoic acid (CAS: 90-27-7) safe?

2-Phenylbutanoic acid (CAS: 90-27-7) is generally considered safe when handled properly. However, it should be treated with caution as it may cause skin and eye irritation. Safety standards recommend using appropriate protective equipment, such as gloves and goggles, and working in well-ventilated areas. Proper disposal is essential to avoid environmental contamination.

How should 2-Phenylbutanoic acid (CAS: 90-27-7) be stored?

2-Phenylbutanoic acid (CAS: 90-27-7) should be stored in a cool, dry, and dark place, away from moisture and incompatible substances. It is typically kept in sealed containers to maintain stability and prevent degradation. Storage conditions should be below 25°C and in a humidity-controlled environment to ensure optimal preservation of the compound.