tert-BUTYL PEROXYPIVALATE supplier

Name
tert-Butyl peroxypivalate
EINECS 213-147-2
CAS No. 927-07-1
Article Data22
CAS DataBase
Density 0.931 g/cm3
Solubility insoluble
Melting Point -17 ºC
Formula C9H18 O3
Boiling Point 182.5 °C at 760 mmHg
Molecular Weight 174.24
Flash Point 53.5 °C
Transport Information UN 2110
Appearance colorless liquid free of foreign contaminant
Safety Mildly toxic by ingestion. Moderately flammable by heat, flame (sparks), oxidizers. Can explode on heating. To fight fire, use water, fog, mist, alcohol foam, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also PEROXIDES, ORGANIC.
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols (Solution) Flammable, dangerous fire risk. Oxidizing agent. May explode on heating.
Synonyms Peroxypivalicacid, tert-butyl ester (6CI,7CI,8CI); Esperox 31M; Kayaester P; Kayaester P 70;Luperox 11; Luperox 11M75; Lupersol 11; Perbutyl PV; Trigonox 25; Trigonox25/75; Trigonox 25C75; Trigonox 25W33; t-Butylperoxypivalate; tert-Butyl2,2-dimethylperoxypropionate; tert-Butyl 2,2-dimethylpropaneperoxoate;tert-Butyl peroxypivalate; tert-Butyl perpivalate; tert-Butyl tert-valerylperoxide; tert-Butyl trimethylperoxyacetate
PSA 35.53000
LogP 2.30580

Synthetic route

: 75-91-2
tert.-butylhydroperoxide

: 3282-30-2
pivaloyl chloride

: 927-07-1
tert-butyl peroxypivalate

Conditions

Conditions	Yield
With potassium hydroxide In water at 10 - 15℃;	93.7%
In water at 14 - 21℃; Product distribution / selectivity;	84%
With pyridine; diethyl ether

: 75-91-2
tert.-butylhydroperoxide

: 75-98-9
Trimethylacetic acid

: 927-07-1
tert-butyl peroxypivalate

Conditions

Conditions	Yield
Stage #1: tert.-butylhydroperoxide; Trimethylacetic acid With dmap In dichloromethane; water at 0℃; for 0.166667h; Inert atmosphere; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane; water at 0 - 20℃; Inert atmosphere;	63%
Stage #1: tert.-butylhydroperoxide; Trimethylacetic acid With dmap In dichloromethane; water at -15℃; for 0.25h; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane; water for 3.5h;	56%
Stage #1: tert.-butylhydroperoxide; Trimethylacetic acid With dmap; dihydrogen peroxide In dichloromethane; water at 0℃; for 0.166667h; Inert atmosphere; Green chemistry; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane; water at 0 - 20℃; for 2h; Inert atmosphere; Green chemistry;
With dmap; dicyclohexyl-carbodiimide In dichloromethane; water for 1.5h; Inert atmosphere; Cooling;
Stage #1: tert.-butylhydroperoxide; Trimethylacetic acid With dmap In dichloromethane; water at 0℃; for 0.166667h; Stage #2: With dicyclohexyl-carbodiimide In dichloromethane; water at 0 - 25℃;

: 927-07-1
tert-butyl peroxypivalate

: 16687-60-8
5-(4-nitrophenyl)-2H-tetrazole

: 2-(tert-butyl)-5-(4-nitrophenyl)-2H-tetrazole

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In acetonitrile at 100℃; for 6h; Schlenk technique; Inert atmosphere; regioselective reaction;	92%

: acrolein cyanohydrin acetate

: 927-07-1
tert-butyl peroxypivalate

: methane-phosphonous acid monoisobutyl ester

: (3-Acetoxy-3-cyano-propyl)-methyl-phosphinic acid isobutyl ester

Conditions

Conditions	Yield
	91.6%

...Expand

: 927-07-1
tert-butyl peroxypivalate

: 18039-42-4
5-phenyl-2H-1,2,3,4-tetrazole

: 59772-96-2
2-(tert-butyl)-5-phenyl-2H-tetrazole

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In acetonitrile at 100℃; for 6h; Schlenk technique; Inert atmosphere; regioselective reaction;	87%

: 927-07-1
tert-butyl peroxypivalate

: 6926-51-8
5-(4-methoxyphenyl)-2H-tetrazole

: 2-(tert-butyl)-5-(4-methoxyphenyl)-2H-tetrazole

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In acetonitrile at 100℃; for 6h; Schlenk technique; Inert atmosphere; regioselective reaction;	81%

: 95-16-9
1,3-Benzothiazole

: 927-07-1
tert-butyl peroxypivalate

: 17626-88-9
2-(tert-butyl)benzo[d]thiazole

Conditions

Conditions	Yield
With iron(III) trifluoromethanesulfonate In acetonitrile at 80℃; for 5h; Inert atmosphere; Schlenk technique; Green chemistry;	76%

: 292638-84-7
styrene

: 927-07-1
tert-butyl peroxypivalate

: 3846-66-0
(E)-1-tert-butyl-2-phenylethene

Conditions

Conditions	Yield
With iron(III) trifluoromethanesulfonate In tetrahydrofuran at 100℃; for 5h; Schlenk technique; Inert atmosphere; diastereoselective reaction;	67%

: 927-07-1
tert-butyl peroxypivalate

: 1224853-95-5
4-(4-methylphenyl)-2-phenylbut-3-yn-2-ol

: C21H22

Conditions

Conditions	Yield
With iron(III) trifluoromethanesulfonate In tetrahydrofuran at 50℃; for 4h; Schlenk technique; Inert atmosphere;	22%

: 927-07-1
tert-butyl peroxypivalate

: 509-14-8
tetranitromethane

: 59223-13-1
3,3,5-trimethyl-1,1,1,5-tetranitro-hexane

: 927-07-1
tert-butyl peroxypivalate

: 5437-63-8
1,1,1-trinitropropane

: 24884-68-2
1,2-dinitro-2-methylpropane

: 927-07-1
tert-butyl peroxypivalate

: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In acetonitrile at 60℃; Kinetics; Rate constant; other solvent: cumene;

: 927-07-1
tert-butyl peroxypivalate

: 80037-90-7
1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxoyl radical

A: 93524-81-3
2-tert-butoxy-1,1,3,3-tetramethylisoindoline

B: 80044-00-4
2-Methyl-2-(1,1,3,3-tetramethyl-1,3-dihydro-isoindol-2-yloxy)-butyric acid methyl ester

C: methyl 3-tert-butoxy-2-methyl-2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxy)propanoate

D: 2,4,4-Trimethyl-2-(1,1,3,3-tetramethyl-1,3-dihydro-isoindol-2-yloxy)-pentanoic acid methyl ester

Conditions

Conditions	Yield
With methacrylic acid methyl ester at 60℃; for 0.5h; Yield given. Yields of byproduct given;

...Expand

: 927-07-1
tert-butyl peroxypivalate

: 80037-90-7
1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxoyl radical

: 80-62-6
methacrylic acid methyl ester

A: 80037-95-2
2-methoxy-1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindole

B: 80037-93-0
2-(1,1,3,3-Tetramethyl-1,3-dihydro-isoindol-2-yloxymethyl)-acrylic acid methyl ester

C: 80037-92-9
(1,1,3,3-tetramethylisoindolin-2-yloxy)methyl 2-methylpropenoate

D: 80044-00-4
2-Methyl-2-(1,1,3,3-tetramethyl-1,3-dihydro-isoindol-2-yloxy)-butyric acid methyl ester

E: methyl 3-tert-butoxy-2-methyl-2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxy)propanoate

F: 2-Methyl-4-(2-methyl-acryloyloxy)-2-(1,1,3,3-tetramethyl-1,3-dihydro-isoindol-2-yloxy)-butyric acid methyl ester

Conditions

Conditions	Yield
at 60℃; for 0.5h; Product distribution; Mechanism; Rate constant; other initiator, var. time;

...Expand

: 927-07-1
tert-butyl peroxypivalate

: 80037-90-7
1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxoyl radical

: 80-62-6
methacrylic acid methyl ester

A: 93524-81-3
2-tert-butoxy-1,1,3,3-tetramethylisoindoline

B: 80044-00-4
2-Methyl-2-(1,1,3,3-tetramethyl-1,3-dihydro-isoindol-2-yloxy)-butyric acid methyl ester

C: methyl 3-tert-butoxy-2-methyl-2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxy)propanoate

D: 2,4,4-Trimethyl-2-(1,1,3,3-tetramethyl-1,3-dihydro-isoindol-2-yloxy)-pentanoic acid methyl ester

Conditions

Conditions	Yield
at 60℃; for 0.5h; Yield given. Yields of byproduct given;

...Expand

: 292638-84-7
styrene

: 927-07-1
tert-butyl peroxypivalate

: 80037-90-7
1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxoyl radical

A: 81913-48-6
2-(2-tert-butoxy-1-phenylethoxy)-1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindole

B: 80037-95-2
2-methoxy-1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindole

C: 93524-81-3
2-tert-butoxy-1,1,3,3-tetramethylisoindoline

D: 1,1,3,3-Tetramethyl-2-(1-phenyl-propoxy)-2,3-dihydro-1H-isoindole

E: 2-(3,3-dimethyl-1-phenylbutoxy)-1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindole

Conditions

Conditions	Yield
at 60℃; for 1h; Product distribution;

...Expand

: 927-07-1
tert-butyl peroxypivalate

A: 67-64-1
acetone

B: 75-65-0
tert-butyl alcohol

C CO2: CO2

Conditions

Conditions	Yield
In n-heptane at 125℃; under 1500120 Torr; Rate constant; Thermodynamic data; Mechanism; var. of temp., pressure, EA, ΔV(excit.);

...Expand

: 927-07-1
tert-butyl peroxypivalate

A: 124-38-9
carbon dioxide

B: 75-65-0
tert-butyl alcohol

Conditions

Conditions	Yield
In hexane at 100℃; under 1425110 Torr; Kinetics;

: 927-07-1
tert-butyl peroxypivalate

: 80037-90-7
1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindol-2-yloxoyl radical

: 80037-95-2
2-methoxy-1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindole

Conditions

Conditions	Yield
In various solvent(s) at 60℃; for 3h;

: 927-07-1
tert-butyl peroxypivalate

: 997-50-2
triethylstannane

: (C2H5)3SnOC(O)C(CH3)3

Conditions

Conditions	Yield
In neat (no solvent) byproducts: CO2, (CH3)3COH, C2H6; reaction at 30-60°C with a large excess of (C2H5)3SnH;;

tert-BUTYL PEROXYPIVALATE Chemical Properties

The molecular formula of tert-butyl peroxypivalate(927-07-1) is C₉H₁₈O₃ and its formula weight is 174.24.
The density of tert-butyl peroxypivalate(927-07-1) is 0.854 g/cm3 (25 °C) and it has a melting point of -17°C. The boiling point is 182°C. The refractive index is about 1.4101 (25 °C).
Tert-butyl peroxypivalate(927-07-1) has the property of being dissolved in most organic solvents. It is not soluble in water and ethylene glycol.
The chemical synonyms of tert-butyl peroxypivalate are esperox31m;InitiatingagentPV;lupersol11;peroxypivalicacid,tert-butylester;Propaneperoxoicacid,2,2-dimethyl-,1,1-dimethylethylester;t-butylperoxypivalate;Tertbutylperoxidetert-pentanoicacidester;tert-butyltrimethylperoxyacetate.
The molecular structure of tert-butyl peroxypivalate(927-07-1):

tert-BUTYL PEROXYPIVALATE Uses

Used as an initiator for polyethylene, polyvinyl chloride, etc. It is a highly efficient low-temperature initiator.

tert-BUTYL PEROXYPIVALATE Toxicity Data With Reference

orl-rat LD50:4300 mg/kg

BSPII* SPI Bulletin .(Society of the Plastics Industry, 250 Park Ave.,New York, NY.: 10017)1/75-19B.

tert-BUTYL PEROXYPIVALATE Consensus Reports

Reported in EPA TSCA Inventory.

tert-BUTYL PEROXYPIVALATE Safety Profile

Mildly toxic by ingestion. Moderately flammable by heat, flame (sparks), oxidizers. Can explode on heating. To fight fire, use water, fog, mist, alcohol foam, dry chemical. When heated to decomposition it emits acrid smoke and fumes. See also PEROXIDES, ORGANIC.
RIDADR UN 2110
HazardClass 5.2
PackingGroup II

tert-BUTYL PEROXYPIVALATE Specification

Storage
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
Handling
All chemicals should be considered hazardous. Avoid direct physical contact. Use appropriate, approved safety equipment. Untrained individuals should not handle this chemical or its container. Handling should occur in a chemical fume hood.
Stability
No data.
Combustion Products
Fire may produce irritating, corrosive and/or toxic gases.

Product Name

tert-Butyl peroxypivalate

Synthetic route

tert-BUTYL PEROXYPIVALATE Chemical Properties

tert-BUTYL PEROXYPIVALATE Uses

tert-BUTYL PEROXYPIVALATE Toxicity Data With Reference

tert-BUTYL PEROXYPIVALATE Consensus Reports

tert-BUTYL PEROXYPIVALATE Safety Profile

tert-BUTYL PEROXYPIVALATE Specification

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