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5-Phenoxypentanoic acid

5-Phenoxypentanoic acid structure

CAS No:
7170-40-3
Formula:
C11H14O3
Chemical Name:
5-Phenoxypentanoic acid
Synonyms:
Pentanoic acid,5-phenoxy-;Valeric acid,5-phenoxy-;5-Phenoxypentanoic acid;5-Phenoxyvaleric acid;NSC 192711
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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5-Phenoxypentanoic acid Basic Attributes

Molecular Weight：

194.22700

Exact Mass：

194.23

NSC Number：

192711

DSSTox ID：

DTXSID50307551

HScode：

2918990090

Characteristics

PSA：

46.53000

XLogP3：

2.32030

Density：

1.115g/cm3

Melting Point：

55-56 °C

Boiling Point：

140 °C @ Press: 0.1 Torr

Flash Point：

138.1ºC

Refractive Index：

1.521

Safety Information

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:194.23
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:194.094294304
Monoisotopic Mass:194.094294304
Topological Polar Surface Area:46.5
Heavy Atom Count:14
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes