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3-Benzoylpropionic acid

3-Benzoylpropionic acid structure

CAS No:
2051-95-8
Formula:
C10H10O3
Chemical Name:
3-Benzoylpropionic acid
Synonyms:
Benzenebutanoic acid,γ-oxo-;Propionic acid,3-benzoyl-;γ-Oxobenzenebutanoic acid;β-Benzoylpropionic acid;Propanoic acid,3-benzoyl-;3-Benzoylpropanoic acid;4-Oxo-4-phenylbutyric acid;4-Oxo-4-phenylbutanoic acid;3-Benzoylpropionic acid;4-Phenyl-4-oxobutanoic acid;NSC 2092;NSC 229040;NSC 51010
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

white to cream crystalline powder

4-oxo-4-phenylbutyric acid is a 4-oxo monocarboxylic acid that is butyric acid bearing oxo and phenyl substituents at position 4. It has a role as a hapten. It derives from a butyric acid.

3-Benzoylpropionic acid Basic Attributes

Molecular Weight：

178.18

Exact Mass：

178.18

BRN：

639757

EC Number：

218-135-0

NSC Number：

229040|51010|2092

DSSTox ID：

DTXSID4062149

HScode：

29183000

Characteristics

PSA：

54.4

XLogP3：

1.3 (LogP)

Appearance：

White to cream Crystalline Powder

Density：

1.2±0.1 g/cm3

Melting Point：

117-119 °C

Boiling Point：

359.7°C at 760 mmHg

Flash Point：

185.6±19.7 °C

Refractive Index：

1.547

Storage Conditions：

Store below +30°C.

Vapor Pressure：

8.39E-06mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-20/21/22

safety instructions：

26-36

Marks：

Xi,Xn

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

benzoylpropionic acid

3-Benzoylpropionic acid Use and Manufacturing

Methods of Manufacturing

Succinic anhydride and dry thiophene-free benzene react in the presence of anhydrous aluminum trichloride. After heating and refluxing for half an hour, cool and add water, steam distillation to remove benzene, filter, and acidify the filtrate with concentrated hydrochloric acid to precipitate 3-benzoyl Propionic acid.

Uses

Used as pharmaceutical intermediate

Manufacturing Info：

Benzenebutanoic acid, .gamma.-oxo-: INACTIVE

Computed Properties

Molecular Weight:178.18
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:178.062994177
Monoisotopic Mass:178.062994177
Topological Polar Surface Area:54.4
Heavy Atom Count:13
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Succinic anhydride

Aluminum trichloride hexahydrate

Recommended Suppliers of 3-Benzoylpropionic acid

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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3-Benzoylpropionic acid

CAS No.: 2051-95-8

Content: 99.00%

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Changzhou Xuanming Pharmaceutical Techno Contact Supplier

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Widely Used 3-BENZOYLPROPIONIC ACID 2051-95-8

CAS No.: 2051-95-8

Grade: Pharmaceutical Grade

Content: 99%

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