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2,6-Di(tert-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one

2,6-Di(tert-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one structure

CAS No:
10396-80-2
Formula:
C15H24O2
Chemical Name:
2,6-Di(tert-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one
Synonyms:
2,5-Cyclohexadien-1-one,2,6-bis(1,1-dimethylethyl)-4-hydroxy-4-methyl-;2,5-Cyclohexadien-1-one,2,6-di-tert-butyl-4-hydroxy-4-methyl-;2,6-Bis(1,1-dimethylethyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one;4-Hydroxy-4-methyl-2,6-di-tert-butyl-2,5-cyclohexadienone;2,6-Di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadienone;2,6-Di(tert-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one;2,6-Di-tert-butyl-4-methyl-4-hydroxy-2,5-cyclohexadien-1-one;2,6-Ditert-butyl-4-hydroxy-4-methylcyclohexa-2,5-dien-1-one

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2,6-Di(tert-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one Basic Attributes

Molecular Weight：

236.355

Exact Mass：

236.35

UNII：

RCK267MPS5

DSSTox ID：

DTXSID10146165

HScode：

2914400090

Characteristics

PSA：

37.3

XLogP3：

3.26510

Density：

1.012±0.06 g/cm3(Predicted)

Melting Point：

110-112 °C

Boiling Point：

339.3±42.0 °C(Predicted)

Flash Point：

144.4ºC

Refractive Index：

1.508

Vapor Pressure：

6.23E-06mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): 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 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2,6-di-tert-butyl-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one

2,6-Di(tert-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one Use and Manufacturing

2,6-Di(tert-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one is a metabolite of BHT (D429480), which acts as an antioxidant.

Computed Properties

Molecular Weight:236.35
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:236.177630004
Monoisotopic Mass:236.177630004
Topological Polar Surface Area:37.3
Heavy Atom Count:17
Complexity:364
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,6-Di(tert-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

2,6-Di(tert-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadien-1-one

SDS

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