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2-Benzylphenol

2-Benzylphenol structure

CAS No:
28994-41-4
Formula:
C13H12O
Chemical Name:
2-Benzylphenol
Synonyms:
Phenol,2-(phenylmethyl)-;o-Cresol,α-phenyl-;2-(Phenylmethyl)phenol;o-Benzylphenol;(2-Hydroxydiphenyl)methane;α-Phenyl-o-cresol;Delegol T;o-Hydroxydiphenylmethane;2-Benzylphenol;534-83-8
Categories:
Chemical Reagents > Organic Reagents

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Description

colorless to red-pink crystals

2-Benzylphenol Basic Attributes

Molecular Weight：

184.23

Exact Mass：

184.23

BRN：

2045725

EC Number：

249-361-8

UNII：

SF555BL24O

DSSTox ID：

DTXSID0067428

HScode：

2907199090

Characteristics

PSA：

20.2

XLogP3：

3.6

Appearance：

red-pink crystals.

Density：

1.1102 g/cm³ @ Temp: 20 °C

Melting Point：

21 °C

Boiling Point：

312 °C

Flash Point：

>230 °F

Refractive Index：

1.603

Water Solubility：

practically insoluble

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

0mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

Marks：

Precautionary statement(s)：

P261-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：

2-benzylphenol

2-Benzylphenol Use and Manufacturing

Methods of Manufacturing

It can be obtained by condensation of benzyl bromide and sodium phenate.

Uses

Intermediate of phenpropaline.

Manufacturing Info：

Phenol, 2-(phenylmethyl)-: INACTIVE

Computed Properties

Molecular Weight:184.23
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:184.088815002
Monoisotopic Mass:184.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:14
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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