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4-tert-Butylthiophenol

4-tert-Butylthiophenol structure

CAS No:
2396-68-1
Formula:
C10H14S
Chemical Name:
4-tert-Butylthiophenol
Synonyms:
Benzenethiol,4-(1,1-dimethylethyl)-;Benzenethiol,p-tert-butyl-;4-(1,1-Dimethylethyl)benzenethiol;4-tert-Butylthiophenol;p-tert-Butylbenzenethiol;4-tert-Butylbenzenethiol;p-tert-Butylthiophenol;p-tert-Butylphenyl mercaptan;p-tert-Butylphenylthiol;NSC 229514;NSC 26804;NSC 57807;4-Tertbutylbenzenethiol
Categories:
Chemical Reagents > Organic Reagents

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Description

clear colorless liquid

4-tert-Butylthiophenol Basic Attributes

Molecular Weight：

166.28

Exact Mass：

166.28

EC Number：

219-255-6

NSC Number：

229514|57807|26804

DSSTox ID：

DTXSID9048196

HScode：

2930909090

Characteristics

PSA：

XLogP3：

3.8

Density：

1.0±0.1 g/cm3

Melting Point：

-11 °C

Boiling Point：

109-110 °C @ Press: 13 Torr

Flash Point：

96.9±8.5 °C

Refractive Index：

1.538

Water Solubility：

Insoluble in water.

Safety Information

Transport codes：

UN 3334

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

DC1025000

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (13.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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.

Computed Properties

Molecular Weight:166.29
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:166.08162162
Monoisotopic Mass:166.08162162
Topological Polar Surface Area:1
Heavy Atom Count:11
Complexity:115
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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