Sodium 2-oxo-3-phenylpropanoate

Basic Information

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CAS Number

114-76-1

Molecular Formula

C9H7NaO3

Molecular Weight

186.14 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

>300 °C

Boiling Point

299.1°C at 760 mmHg

Density

1.2570

Water Solubility

Soluble in water

Flash Point

148.9 °C

SMILES

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C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C9H8O3.Na/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,11,12);/q;+1/p-1

InChIKey

MQGYVGKMCRDEAF-UHFFFAOYSA-M

LogP

-0.45190

Complexity

185

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

114-76-1
EINECS 204-053-2
A803225
Sodium phenylpyruvate
UNII-7528CW33WW
PHENYLPYRUVICACIDSODIUMSALT
NSC-1470
NSC 1470
Phenylpyruvic acid sodium salt
AS-67709
Sodium 2-Oxo-3-phenylpropionate
GEO-04264
2-Oxo-3-phenylpropionic Acid Sodium Salt
sodium;2-oxo-3-phenylpropanoate
FT-0658298
PHENYLPYRORACEMIC ACID SODIUM SALT
P-5050
MQGYVGKMCRDEAF-UHFFFAOYSA-M
Sodium 2-Oxo-3-Phenyl-Propanoate
P0838
Q27266325
s3351
sodium 2-oxidanylidene-3-phenyl-propanoate
Benzenepropanoic acid, alpha-oxo-, sodium salt (1:1)
DTXSID001019012
7528CW33WW
F86981
Phenylpyruvic acid, sodium salt
Phenyylpyruvic acid sodium salt
NS00079409
MFCD00002590

MDL Number

MFCD00149109

Customs Code

2918300090

FAQ

What regulatory guidelines apply to Sodium 2-oxo-3-phenylpropanoate (CAS: 114-76-1)?

Sodium 2-oxo-3-phenylpropanoate (CAS: 114-76-1) is subject to various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. Manufacturers and handlers must ensure compliance with these guidelines to ensure safety and environmental protection.

Are there alternatives to Sodium 2-oxo-3-phenylpropanoate (CAS: 114-76-1) in synthesis?

In the synthesis of similar compounds, alternatives to Sodium 2-oxo-3-phenylpropanoate (CAS: 114-76-1) may include other carboxylic acids or their derivatives. Common reagents such as acetic anhydride, chloroacetic acid, or other phenolic compounds can serve as alternatives depending on the specific reaction conditions and desired product.

What is the market or research trend for Sodium 2-oxo-3-phenylpropanoate (CAS: 114-76-1)?

The market for Sodium 2-oxo-3-phenylpropanoate (CAS: 114-76-1) is influenced by its applications in pharmaceuticals, agrochemicals, and materials science. Recent research trends indicate a focus on its use in drug synthesis and as a precursor for other organic compounds. Market dynamics show a steady demand, with ongoing studies exploring its properties and potential uses.

How should waste containing Sodium 2-oxo-3-phenylpropanoate (CAS: 114-76-1) be handled?

Waste containing Sodium 2-oxo-3-phenylpropanoate (CAS: 114-76-1) should be collected in appropriate containers and stored under controlled conditions. Proper disposal methods include incineration or professional waste disposal services. Environmental precautions should be taken to prevent contamination, and all handling should comply with local and national regulations to ensure safety and environmental protection.