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Basic Information
CAS No.: 10508-09-5
Name: Bis(1,1-dimethylpropyl) peroxide
Article Data: 10
Molecular Structure:
Molecular Structure of 10508-09-5 (Bis(1,1-dimethylpropyl) peroxide)
Formula: C10H22O2
Molecular Weight: 174.283
Synonyms: tert-Pentylperoxide (6CI,7CI,8CI);Di-t-amyl peroxide;Di-tert-amyl peroxide;Luperox DTA;Peroximon S 172;Trigonox 201;tert-Amyl peroxide;
EINECS: 234-042-8
Density: 0.844 g/cm3
Melting Point: -55oC
Boiling Point: 177.708 °C at 760 mmHg
Flash Point: 41.092 °C
Solubility: 13.83mg/L at 20℃
Appearance: COA
Hazard Symbols: OxidizingO,HarmfulXn
Risk Codes: 8-22-38-7
Safety: 7-16-17-36/37/39-47-14
Transport Information: UN 3107 5.2
PSA: 18.46000
LogP: 3.31180
Synthetic route
75-85-4

tert-Amyl alcohol

10508-09-5

di-tert-amyl peroxide

Conditions
ConditionsYield
Stage #1: tert-Amyl alcohol With sulfuric acid at 0℃; for 4h; Inert atmosphere;
Stage #2: With sulfuric acid; dihydrogen peroxide at 0℃; Inert atmosphere;
43%
With sulfuric acid; dihydrogen peroxide
75-85-4

tert-Amyl alcohol

3425-61-4

tert-amyl hydroperoxide

10508-09-5

di-tert-amyl peroxide

Conditions
ConditionsYield
With sulfuric acid
78-78-4

methylbutane

110-05-4

di-tert-butyl peroxide

10508-09-5

di-tert-amyl peroxide

Conditions
ConditionsYield
at 150℃; under 20594.2 Torr; Leiten von Luft;und Behandeln des Reaktionsprodukts mit tert-Pentylalkohol und 60prozentig.wss.Schwefelsaeure;
78-78-4

methylbutane

10508-09-5

di-tert-amyl peroxide

Conditions
ConditionsYield
With hydrogen bromide; oxygen at 165℃;
123-51-3

i-Amyl alcohol

10508-09-5

di-tert-amyl peroxide

Conditions
ConditionsYield
(i) Al2O3, (heating), (ii) aq. H2SO4, (iii) aq. H2O2; Multistep reaction;
507-36-8

2-bromo-2-methylbutane

10508-09-5

di-tert-amyl peroxide

Conditions
ConditionsYield
With dihydrogen peroxide; silver trifluoroacetate
tert-pentylsulfuric acid

tert-pentylsulfuric acid

10508-09-5

di-tert-amyl peroxide

Conditions
ConditionsYield
With sulfuric acid; dihydrogen peroxide at 5℃;
78-78-4

methylbutane

10035-10-6, 12258-64-9

hydrogen bromide

A

75-85-4

tert-Amyl alcohol

B

3425-61-4

tert-amyl hydroperoxide

C

10508-09-5

di-tert-amyl peroxide

Conditions
ConditionsYield
at 165℃; Bei der Oxydation;
75-85-4

tert-Amyl alcohol

A

3425-61-4

tert-amyl hydroperoxide

B

10508-09-5

di-tert-amyl peroxide

C

1642887-92-0

tert-amyl hydrogen peroxysulfate

D

67-64-1

acetone

Conditions
ConditionsYield
With sulfuric acid; dihydrogen peroxide In water at 24.84℃; for 2h; pH=1; Kinetics;
10508-09-5

di-tert-amyl peroxide

22731-83-5

S,S-diphenylsulphoximine

62129-79-7

N-ethyl diphenyl sulfoximine

Conditions
ConditionsYield
With copper diacetate In dimethyl sulfoxide at 110℃; for 16h; Inert atmosphere; Schlenk technique;81%
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Specification

The Bis(1,1-dimethylpropyl) peroxide with its cas register number is 10508-09-5. It also can be called as Peroxide, bis(1,1-dimethylpropyl)  and the IUPAC name about this chemical is 2-methyl-2-(2-methylbutan-2-ylperoxy)butane.

Physical properties about Bis(1,1-dimethylpropyl) peroxide are: (1)ACD/LogP: 4.26; (2)ACD/LogD (pH 5.5): 4.26; (3)ACD/LogD (pH 7.4): 4.26; (4)ACD/BCF (pH 5.5): 1011.03; (5)ACD/BCF (pH 7.4): 1011.03; (6)ACD/KOC (pH 5.5): 4925.04; (7)ACD/KOC (pH 7.4): 4925.04; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 18.46Å2; (11)Index of Refraction: 1.415; (12)Molar Refractivity: 51.79 cm3; (13)Molar Volume: 206.4 cm3; (14)Polarizability: 20.53x10-24cm3; (15)Surface Tension: 24.5 dyne/cm; (16)Enthalpy of Vaporization: 39.7 kJ/mol; (17)Vapour Pressure: 1.38 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating skin and it is harmful if swallowed, contact with combustible material may cause fire, also it may cause fire. When you are using it, wear suitable protective clothing, gloves and eye/face protection, keep away from sources of ignition and keep away from combustible material. If you want to store this chemical, please keep container tightly closed and keep at temperature not exceeding...

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)(C)OOC(C)(C)CC
(2)InChI: InChI=1S/C10H22O2/c1-7-9(3,4)11-12-10(5,6)8-2/h7-8H2,1-6H3
(3)InChIKey: JJRDRFZYKKFYMO-UHFFFAOYSA-N 

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1450mg/kg (1450mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 263, 1986.