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(4-tert-Butylphenyl)acetonitrile

(4-tert-Butylphenyl)acetonitrile structure

CAS No:
3288-99-1
Formula:
C12H15N
Chemical Name:
(4-tert-Butylphenyl)acetonitrile
Synonyms:
Benzeneacetonitrile,4-(1,1-dimethylethyl)-;Acetonitrile,(p-tert-butylphenyl)-;4-(1,1-Dimethylethyl)benzeneacetonitrile;p-tert-Butylbenzyl cyanide;(p-tert-Butylphenyl)acetonitrile;4-tert-Butylbenzyl cyanide;(4-tert-Butylphenyl)acetonitrile;NSC 85354;2-[4-(tert-Butyl)phenyl]ethanenitrile;2-(4-tert-Butylphenyl)acetonitrile
Categories:
Cosmetic Ingredient > Perfuming

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Description

Colorless liquid

(4-tert-Butylphenyl)acetonitrile Basic Attributes

Molecular Weight：

173.25

Exact Mass：

173.25

EC Number：

221-944-1

UNII：

JJV56A2CNJ

NSC Number：

85354

DSSTox ID：

DTXSID8052011

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

3.2

Density：

0.9±0.1 g/cm3

Boiling Point：

141-142 °C

Flash Point：

120.4±5.1 °C

Refractive Index：

1.505

Safety Information

Transport codes：

UN 3276

hazard class code：

R20/21/22

safety instructions：

26-36/37/39

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

Not Classified

(4-tert-Butylphenyl)acetonitrile Use and Manufacturing

Manufacturing Info：

Benzeneacetonitrile, 4-(1,1-dimethylethyl)-: ACTIVE

Computed Properties

Molecular Weight:173.25
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:173.120449483
Monoisotopic Mass:173.120449483
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 3288-99-1

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CAS No.: 3288-99-1

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Guide of (4-tert-Butylphenyl)acetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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(4-tert-Butylphenyl)acetonitrile

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