3-Phenylpentanedioic acid

Basic Information

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CAS Number

4165-96-2

Molecular Formula

C11H12O4

Molecular Weight

208.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

140-143 °C

Boiling Point

307.4°C (rough estimate)

Flash Point

185.3℃

Refractive Index

1.5020 (estimate)

SMILES

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

InChI

InChI=1S/C11H12O4/c12-10(13)6-9(7-11(14)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)

InChIKey

RZOKZOYSUCSPDF-UHFFFAOYSA-N

LogP

1.7195999999999998

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

215

Safety Information

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Hazard Statement

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

SCHEMBL503819
WSG2NF7Z5J
4165-96-2
FT-0616341
AKOS015888419
3-Phenylglutaric acid
DTXSID30194466
3-Phenylglutaricacid
Pentanedioic acid, 3-phenyl-
UNII-WSG2NF7Z5J
I(2)-Phenylglutaric acid
3-Phenylpentanedioic acid
MFCD00002718
AS-30102
Z1508914976
F1993-0033
3-Phenylpentanedioic acid #
3-Phenylglutaric acid, 97%
3-Phenyl-pentanedioic acid
CHEMBL310821
EN300-142112
AMY3982
NS00031028
EINECS 224-016-4
SY013010
3-Phenylglutaric acid
3-phenylpentanedioic acid
Glutaricacid, 3-phenyl- (6CI,7CI,8CI)
b-Phenylglutaric acid
3-Phenylpentanedioicacid

MDL Number

MFCD00002718

Customs Code

2917399090

FAQ

What are the physical and chemical properties of 3-Phenylpentanedioic acid (CAS: 4165-96-2)?

3-Phenylpentanedioic acid is a white crystalline solid with a molecular weight of 174.23 g/mol. It is slightly soluble in water and alcohol. The acid is relatively stable but can undergo oxidation and dehydrogenation under certain conditions. It exhibits typical carboxylic acid reactivity, including esterification and acylation reactions.

How is 3-Phenylpentanedioic acid (CAS: 4165-96-2) typically synthesized?

3-Phenylpentanedioic acid is synthesized through a multi-step process, often starting with adipic acid and phenylacetic acid. Common methods involve the condensation of an appropriate dicarboxylic acid with a phenyl derivative, followed by acidification. Catalysts like sulfuric acid are used to promote the reaction, with a yield of around 70-80%.

What industries use 3-Phenylpentanedioic acid (CAS: 4165-96-2)?

3-Phenylpentanedioic acid finds applications in various industries. It is used in pharmaceuticals for the synthesis of certain drugs, in polymers for specialty plastic formulations, and in sensors for detecting specific chemicals. Its use in semiconductors is limited but explored for advanced material applications.

What precautions should be taken when handling 3-Phenylpentanedioic acid (CAS: 4165-96-2)?

When handling 3-Phenylpentanedioic acid, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a cool, dry place away from direct sunlight and heat sources. Use fume hoods during handling to minimize inhalation risks. In case of a spill, neutralize with a base and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.