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4-TERT-BUTOXYPHENOL

4-TERT-BUTOXYPHENOL structure

CAS No:
2460-87-9
Formula:
C10H14O2
Chemical Name:
4-TERT-BUTOXYPHENOL
Synonyms:
4-T-butoxyphenol;4-TERT-BUTOXYPHENOL;Hydroquinonetert-butylether;HYDROQUINONEMONO-TERT-BUTYLETHER
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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4-TERT-BUTOXYPHENOL Basic Attributes

Molecular Weight：

166.21700

Exact Mass：

166.09900

UNII：

4W56A32OU8

DSSTox ID：

DTXSID90179350

HScode：

2909500000

Characteristics

PSA：

29.46000

XLogP3：

2.56950

Density：

1.029g/cm3

Melting Point：

157-159°C

Boiling Point：

263.7ºC at 760mmHg

Flash Point：

114.4ºC

Refractive Index：

1.514

Vapor Pressure：

0.00621mmHg at 25°C

Safety Information

Marks：

C: Corrosive;

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301+H311+H331

GHS Classification：

|Danger|H301+H311+H331 (14.29%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:166.22
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:166.099379685
Monoisotopic Mass:166.099379685
Topological Polar Surface Area:29.5
Heavy Atom Count:12
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes