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Benzenebutanol

Benzenebutanol structure

CAS No:
3360-41-6
Formula:
C10H14O
Chemical Name:
Benzenebutanol
Synonyms:
Benzenebutanol;1-Butanol,4-phenyl-;4-Phenylbutanol;Phenylbutyl alcohol;4-Phenyl-1-butanol;4-Phenylbutyl alcohol;4-Phenyl-1-butyl alcohol;NSC 71383;Phenbutanol;4-(4-Hydroxybutyl)phenyl acetate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

colourless liquid

Benzenebutanol Basic Attributes

Molecular Weight：

150.22

Exact Mass：

150.22

EC Number：

222-128-8

NSC Number：

71383

DSSTox ID：

DTXSID3062994

HScode：

2906299090

Characteristics

PSA：

20.2

XLogP3：

2.3

Appearance：

colourless liquid

Density：

1.001 g/cm³ @ Temp: 20 °C

Boiling Point：

140 °C

Flash Point：

114.3±17.3 °C

Refractive Index：

1.522

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R34

safety instructions：

S23-S24/25

RTECS Number：

222-128-8

Marks：

Xi: Irritant;C: Corrosive;

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P273, P501

Hazard Statements：

H412

GHS Classification：

H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

4-phenyl-2-butanol

Benzenebutanol Use and Manufacturing

Manufacturing Info：

Benzenebutanol: INACTIVE

Computed Properties

Molecular Weight:150.22
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:150.104465066
Monoisotopic Mass:150.104465066
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:84.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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