CAS No.3425-61-4,tert-Amyl hydroperoxide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3425-61-4
Name:	tert-Amyl hydroperoxide
Article Data:	29

Formula:	C5H12 O2
Molecular Weight:	104.149
Synonyms:	tert-Pentylhydroperoxide (6CI,7CI,8CI); 1,1-Dimethylpropyl hydroperoxide; 2-Ethyl-2-propylhydroperoxide; Trigonox TAHP; t-Amyl hydroperoxide; tert-Amyl hydrogenperoxide; tert-Amyl hydroperoxide
EINECS:	222-321-7
Density:	0.905 g/cm³
Melting Point:	-70°C
Boiling Point:	144.6ºC
Flash Point:	41.2 ºC
Solubility:	63.25g/L at 20℃
Risk Codes:	7-11-52/53-68
Safety:	Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also PEROXIDES, ORGANIC.
PSA:	29.46000
LogP:	1.66460

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Chemistry

Molecular Structure of tert-Pentyl hydroperoxide (CAS NO.3425-61-4):

EINECS: 222-321-7
IUPAC Name: 2-Hydroperoxy-2-methylbutane
Molecular Formula: C₅H₁₂O₂
Molecular Weight: 104.147580 g/mol
SMILES: O(O)C(C)(C)CC
InChI: InChI=1/C5H12O2/c1-4-5(2,3)7-6/h6H,4H2,1-3H3
InChIKey: XRXANEMIFVRKLN-UHFFFAOYAK
H bond acceptors: 2
H bond donors: 1
Index of Refraction: 1.409
Molar Refractivity: 28.45 cm³
Molar Volume: 114.9 cm³
Surface Tension: 27.1 dyne/cm
Density: 0.905 g/cm³
Flash Point: 41.2 °C
Enthalpy of Vaporization: 44.46 kJ/mol
Boiling Point: 144.6 °C at 760 mmHg
Vapour Pressure: 2.01 mmHg at 25 °C
Water Solubility: 6832 mg/L at 25 °C
BRN of tert-Pentyl hydroperoxide (CAS NO.3425-61-4): 1731878

Toxicity Data With Reference

1.	orl-rat LD50:863 mg/kg	85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,21.
2.	ipr-rat LD50:225 mg/kg	GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 22 (7)(1978),51.
3.	orl-mus LD50:450 mg/kg	85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,21.
4.	ipr-mus LD50:275 mg/kg	85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,21.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes. See also PEROXIDES, ORGANIC.

Specification

tert-Pentyl hydroperoxide with CAS registry number of 3425-61-4 is also called for tert-Amylhydroperoxide ; 1,1-Dimethylpropyl hydroperoxide ; 4-01-00-01671 (Beilstein Handbook Reference) ; Trigonox TAHP ; t-Amyl hydroperoxide ; tert-Amyl hydroperoxide ; Hydroperoxide, 1,1-dimethylpropyl .