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tert-Amyl hydroperoxide

tert-Amyl hydroperoxide structure

CAS No:
3425-61-4
Formula:
C5H12O2
Chemical Name:
tert-Amyl hydroperoxide
Synonyms:
Hydroperoxide,1,1-dimethylpropyl;tert-Pentyl hydroperoxide;1,1-Dimethylpropyl hydroperoxide;tert-Amyl hydroperoxide;2-Ethyl-2-propyl hydroperoxide;t-Amyl hydroperoxide;Trigonox TAHP;tert-Amyl hydrogen peroxide;TAH 85;Luperox TAH;Luperox TAH 85;Luperox TAHP;Peroxan AHP;2-Hydroperoxy-2-methylbutane
Categories:
Organic Chemistry > Free Radicals

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Description

Liquid

tert-Amyl hydroperoxide Basic Attributes

Molecular Weight：

104.14800

Exact Mass：

104.15

EC Number：

222-321-7

UNII：

8DSG8F2WBP

DSSTox ID：

DTXSID6029256

HScode：

2909600000

Characteristics

PSA：

29.46000

XLogP3：

1.66460

Appearance：

Liquid

Density：

0.903 g/cm³

Melting Point：

-70°C

Boiling Point：

26 °C @ Press: 3.5 Torr

Refractive Index：

1.409

Toxicity：

LD50 orl-rat: 863 mg/kg 85GMAT -,21,82

Safety Information

safety instructions：

3/7-14-16-23-36/37/39-61

Precautionary statement(s)：

P201, P202, P210, P220, P233, P234, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P273, P280, P281, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P308+P313, P310, P311, P312, P321, P322, P330, P333+P313, P361, P363, P370+P378, P391, P403+P233, P403+P235, P405, P411, P420, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (91.89%): Flammable liquid and vapor [Warning Flammable liquids]|P201, P202, P210, P220, P233, P234, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P273, P280, P281, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P308+P313, P310, P311, P312, P321, P322, P330, P333+P313, P361, P363, P370+P378, P391, P403+P233, P403+P235, P405, P411, P420, and P501|Aggregated GHS information provided by 37 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

tert-amylhydroperoxide

tert-Amyl hydroperoxide Use and Manufacturing

Uses

Fillers

Manufacturing Info：

All other basic organic chemical manufacturing|Hydroperoxide, 1,1-dimethylpropyl: ACTIVE

Computed Properties

Molecular Weight:104.15
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:104.083729621
Monoisotopic Mass:104.083729621
Topological Polar Surface Area:29.5
Heavy Atom Count:7
Complexity:50
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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