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4-Phenoxybutyric acid

4-Phenoxybutyric acid structure

CAS No:
6303-58-8
Formula:
C10H12O3
Chemical Name:
4-Phenoxybutyric acid
Synonyms:
Butanoic acid,4-phenoxy-;Butyric acid,4-phenoxy-;4-Phenoxybutanoic acid;γ-Phenoxybutyric acid;4-Phenoxybutyric acid;NSC 43294;NSC 64178
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-Phenoxybutyric acid Basic Attributes

Molecular Weight：

180.20000

Exact Mass：

180.20

EC Number：

228-603-6

NSC Number：

64178|43294

HScode：

2918990090

Characteristics

PSA：

46.53000

XLogP3：

1.93020

Density：

1.143 g/cm3

Melting Point：

59.5 °C @ Solvent: Ligroine

Boiling Point：

180-185 °C @ Press: 12 Torr

Flash Point：

140.5ºC

Refractive Index：

1.526

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S22-S24/25

RTECS Number：

ET5956300

Marks：

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 9 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:180.20
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:180.078644241
Monoisotopic Mass:180.078644241
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes