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3,5-Di-tert-butylphenol

3,5-Di-tert-butylphenol structure

CAS No:
1138-52-9
Formula:
C14H22O
Chemical Name:
3,5-Di-tert-butylphenol
Synonyms:
Phenol,3,5-bis(1,1-dimethylethyl)-;Phenol,3,5-di-tert-butyl-;3,5-Bis(1,1-dimethylethyl)phenol;3,5-Di-tert-butylphenol;3,5-Di-t-butylphenol;NSC 68209;3,5-Bis(tert-butyl)phenol;3,5-Ditert-butylphenol;50356-18-8
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

off-white crystals or powder

3,5-Di-tert-butylphenol Basic Attributes

Molecular Weight：

206.32

Exact Mass：

206.32

EC Number：

214-513-4

UNII：

F4SMH8G9W7

NSC Number：

68209

DSSTox ID：

DTXSID3061558

Characteristics

PSA：

20.2

XLogP3：

4.9

Appearance：

off-white crystals or powder

Density：

0.9389 (estimate)

Melting Point：

93.5-94.0 °C

Boiling Point：

281.58°C (estimate)

Flash Point：

127.2±7.2 °C

Refractive Index：

1.5073 (estimate)

Vapor Pressure：

0.0028mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

3077

hazard class code：

34-41

safety instructions：

26-36/37/39-45

Marks：

Stability/Shelf Life：

Stable. Incompatible with bases, acid chlorides, acid anhydrides, oxidizing agents, brass, steel, copper, copper alloys.

Precautionary statement(s)：

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

3,5-di-tert-butylphenol

3,5-Di-tert-butylphenol Use and Manufacturing

Manufacturing Info：

Phenol, 3,5-bis(1,1-dimethylethyl)-: ACTIVE

Computed Properties

Molecular Weight:206.32
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:206.167065321
Monoisotopic Mass:206.167065321
Topological Polar Surface Area:20.2
Heavy Atom Count:15
Complexity:184
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,5-Di-tert-butylphenol

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3,5-Di-tert-butylphenol/C14H22O CAS 1138-52-9 99% White powder

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Guide of 3,5-Di-tert-butylphenol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3,5-Di-tert-butylphenol

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