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2-Methyl-5-tert-butylthiophenol

2-Methyl-5-tert-butylthiophenol structure

CAS No:
7340-90-1
Formula:
C11H16S
Chemical Name:
2-Methyl-5-tert-butylthiophenol
Synonyms:
Benzenethiol,5-(1,1-dimethylethyl)-2-methyl-;o-Toluenethiol,5-tert-butyl-;5-(1,1-Dimethylethyl)-2-methylbenzenethiol;2-Methyl-5-tert-butylthiophenol;5-tert-Butyl-2-methylthiophenol;5-tert-Butyl-2-methylbenzenthiol;5-(tert-Butyl)-2-methylbenzenethiol

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Description

CLEAR COLOURLESS LIQUID

2-Methyl-5-tert-butylthiophenol Basic Attributes

Molecular Weight：

180.31000

Exact Mass：

180.31

EC Number：

615-977-4

DSSTox ID：

DTXSID80344434

HScode：

2930909090

Characteristics

PSA：

38.80000

XLogP3：

3.58120

Density：

0.984

Melting Point：

-10ºC

Boiling Point：

260ºC

Flash Point：

116ºC

Refractive Index：

1.5470

Safety Information

Packing level：

III

Transport codes：

UN 3082

hazard class code：

36/38-51/53

safety instructions：

26-37/39-61

Precautionary statement(s)：

P201, P202, P260, P261, P264, P271, P272, P273, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P314, P321, P331, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, P501

Hazard Statements：

H304

GHS Classification：

|Danger|H304 (13.16%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]|P201, P202, P260, P261, P264, P271, P272, P273, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P314, P321, P331, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]|P201, P202, P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P272, P273, P280, P281, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P312, P314, P321, P331, P332+P313, P333+P313, P337+P313, P362, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:180.31
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:180.09727168
Monoisotopic Mass:180.09727168
Topological Polar Surface Area:1
Heavy Atom Count:12
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Methyl-5-tert-butylthiophenol

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

2-Methyl-5-tert-butylthiophenol

SDS

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