2-Oxo-4-phenylbutanoic acid

Basic Information

View in Editor

CAS Number

710-11-2

Molecular Formula

C10H10O3

Molecular Weight

178.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

47.0 to 51.0 deg-C

Boiling Point

314.4°C at 760 mmHg

Density

1.212

Flash Point

158.1 °C

Refractive Index

1.547

SMILES

View in Editor

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

InChI

InChI=1S/C10H10O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)

InChIKey

PPKAIMDMNWBOKN-UHFFFAOYSA-N

LogP

1.2729

Topological Polar Surface Area

54.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

192

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

710-11-2
AC-3539
2-oxo-4-phenyl-butanoic acid
Z1201620725
2-Oxo-4-phenylbutanoicacid
NS00037138
DS-3613
2-oxo-4-phenylbutanoic acid
SCHEMBL258545
4-phenyl-2-oxobutyric acid
MFCD00969471
2-oxo-4-phenyl-butyric acid, AldrichCPR
AKOS005174543
benzylpyruvic acid
PPKAIMDMNWBOKN-UHFFFAOYSA-N
Benzenebutanoic acid, alpha-oxo-
2-Oxo-4-phenyl-butyric acid
W-104537
Y9E
Benzenebutanoic acid, a-oxo-
2-OXO-4-PHENYL-BUTYRICACID
2-oxo-4-phenyl butyric acid
DTXSID10221224
EN300-143516
CHEBI:181422
BDBM50125828
FT-0632864
O0389
2-Oxo-4-phenylbutanoate
2-Oxo-4-phenylbutyric acid
C20327

MDL Number

MFCD00969471

Customs Code

2918300090

FAQ

What regulatory guidelines apply to 2-Oxo-4-phenylbutanoic acid (CAS: 710-11-2)?

2-Oxo-4-phenylbutanoic acid (CAS: 710-11-2) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and is regulated by REACH in the European Union. In the US, it is managed by the FDA and EPA, which may require specific handling, storage, and disposal guidelines depending on the intended use.

Are there alternatives to 2-Oxo-4-phenylbutanoic acid (CAS: 710-11-2) in synthesis?

For synthesis purposes, 2-Oxo-4-phenylbutanoic acid can be replaced with its analogs such as 2-oxo-3-phenylpropanoic acid or other related carboxylic acids. Common alternative reagents include acyl chlorides or anhydrides, which can serve similar functions in different chemical reactions.

What is the market or research trend for 2-Oxo-4-phenylbutanoic acid (CAS: 710-11-2)?

The market for 2-Oxo-4-phenylbutanoic acid is growing with increasing interest in its application in pharmaceuticals and agrochemicals. Research trends include its use as a precursor in the synthesis of bioactive compounds. Market demand is driven by its unique chemical properties, making it a valuable intermediate in various research fields.

How should waste containing 2-Oxo-4-phenylbutanoic acid (CAS: 710-11-2) be handled?

Waste containing 2-Oxo-4-phenylbutanoic acid should be collected in appropriate containers and disposed of through professional waste disposal services to ensure environmental safety. Incineration is a common method, but care must be taken to comply with local regulations. Proper handling includes neutralization and neutral waste should be disposed of in accordance with local waste management guidelines.