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5-(1,1-Dimethylethyl)-3-methyl-1,2-benzenediol

5-(1,1-Dimethylethyl)-3-methyl-1,2-benzenediol structure

CAS No:
2213-66-3
Formula:
C11H16O2
Chemical Name:
5-(1,1-Dimethylethyl)-3-methyl-1,2-benzenediol
Synonyms:
1,2-Benzenediol,5-(1,1-dimethylethyl)-3-methyl-;Pyrocatechol,5-tert-butyl-3-methyl-;5-(1,1-Dimethylethyl)-3-methyl-1,2-benzenediol;3-Methyl-5-tert-butyl-1,2-dihydroxybenzene;6-Methyl-4-tert-butyl-1,2-benzenediol;NSC 116690;5-tert-Butyl-3-methyl-1,2-benzenediol;5-tert-Butyl-3-methylcatechol;3-Methyl-5-tert-butylcatechol

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5-(1,1-Dimethylethyl)-3-methyl-1,2-benzenediol Basic Attributes

Molecular Weight：

180.247

Exact Mass：

180.24

EC Number：

218-668-9

NSC Number：

116690

DSSTox ID：

DTXSID20176655

HScode：

2907299090

Characteristics

PSA：

40.5

XLogP3：

3.03

Density：

1.1±0.1 g/cm3

Melting Point：

116-117 °C

Boiling Point：

294.3±35.0 °C at 760 mmHg

Flash Point：

137.2±20.5 °C

Refractive Index：

1.542

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (92.68%): 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 41 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:180.24
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:180.115029749
Monoisotopic Mass:180.115029749
Topological Polar Surface Area:40.5
Heavy Atom Count:13
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(1,1-Dimethylethyl)-3-methyl-1,2-benzenediol

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-(1,1-Dimethylethyl)-3-methyl-1,2-benzenediol

SDS

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