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Diphenylpropionic acid

Diphenylpropionic acid structure

CAS No:
606-83-7
Formula:
C15H14O2
Chemical Name:
Diphenylpropionic acid
Synonyms:
Benzenepropanoic acid,β-phenyl-;Propionic acid,3,3-diphenyl-;β-Phenylbenzenepropanoic acid;Diphenylpropionic acid;3,3-Diphenylpropanoic acid;3,3-Diphenylpropionic acid;NSC 631492;NSC 6797
Categories:
Chemical Reagents > Organic Reagents

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Description

WHITE TO LIGHT YELLOW CRYSTALLINE POWDER

Diphenylpropionic acid Basic Attributes

Molecular Weight：

226.275

Exact Mass：

226.27

EC Number：

210-125-4

NSC Number：

631492|6797

DSSTox ID：

DTXSID1060554

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

3.3

Appearance：

White to light yellow solid.

Density：

1.1±0.1 g/cm3

Melting Point：

154-155 °C

Boiling Point：

365ºC

Flash Point：

255.3±14.4 °C

Refractive Index：

1.588

Water Solubility：

H2O: slightly soluble

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S22-S24/25-S37/39-S26

Marks：

Xi:Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3,3-diphenylpropanoate

Diphenylpropionic acid Use and Manufacturing

Uses

3,3-Diphenylpropionic Acid is used in the preparation of steroid 5α-reductase inhibiting acylpiperidines. It can also be used in the preparation of calpain-inhibitory piptidyl α-ketoacids and esters.

Manufacturing Info：

Benzenepropanoic acid, .beta.-phenyl-: ACTIVE

Computed Properties

Molecular Weight:226.27
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:226.099379685
Monoisotopic Mass:226.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:17
Complexity:219
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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