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ChemicalBook--->CAS DataBase List--->107-71-1

107-71-1

107-71-1 Structure

107-71-1 Structure
IdentificationMore
[Name]

tert-Butyl peroxyacetate
[CAS]

107-71-1
[Synonyms]

LUPEROX 7M50
LUPEROX 7M75
T-BUTYL PERACETATE
TERT-BUTYL PERACETATE
TERT-BUTYL PEROXYACETATE
Ethaneperoxoicacid,1,1-dimethylethylester
lupersol70
peroxyaceticacid,tert-butylester
t-Butylethaneperoxoicacid
t-butylperoxyacetate
tert-butyl
trigonoxf-c50
Butylperacetate
tert-Butyl peracetate solution
Trigonox?F
TERT-BUTYL PERACETATE 75 WT. % SOLUTIO&
TERT-BUTYL PERACETATE 50 WT. % SOLUTIO&
TERT-BUTYL PERACETATE, 50 WT. % SOLUTION IN ALIPHATIC HC (LUPEROX 7M50)
50%inmineralspirit
Peracetic acid, tert-butyl ester
[EINECS(EC#)]

203-514-5
[Molecular Formula]

C6H12O3
[MDL Number]

MFCD00048240
[Molecular Weight]

132.16
[MOL File]

107-71-1.mol
Chemical PropertiesBack Directory
[Appearance]

clear solution
[Melting point ]

-20 °C
[Boiling point ]

184.08°C (rough estimate)
[density ]

0.828 g/mL at 25 °C
[vapor pressure ]

1.966Pa at 25℃
[refractive index ]

n20/D 1.412
[Fp ]

99 °F
[storage temp. ]

Refrigerator (+4°C) + Flammables area
[form ]

Solution
[color ]

Clear
[Water Solubility ]

3.878g/L at 25℃
[InChI]

InChI=1S/C6H12O3/c1-5(7)8-9-6(2,3)4/h1-4H3
[InChIKey]

SWAXTRYEYUTSAP-UHFFFAOYSA-N
[SMILES]

C(OOC(C)(C)C)(=O)C
[LogP]

1.6 at 25℃
[Uses]

Polymerization initiator for vinyl monomers, manufacture of polyethylene and polystyrene.
[CAS DataBase Reference]

107-71-1(CAS DataBase Reference)
[EPA Substance Registry System]

tert-Butyl peroxyacetate (107-71-1)
Safety DataBack Directory
[Hazard Codes ]

F,T,O,Xi
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R40:Limited evidence of a carcinogenic effect.
R65:Harmful: May cause lung damage if swallowed.
R22:Harmful if swallowed.
R10:Flammable.
R7:May cause fire.
R45:May cause cancer.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S47:Keep at temperature not exceeding ... E C (to be specified by the manufacturer) .
S14:Keep away from ... (incompatible materials to be indicated by the manufacturer) .
S7:Keep container tightly closed .
S53:Avoid exposure-obtain special instruction before use .
S3/7:Keep container tightly closed in a cool place .
[RIDADR ]

UN 3103 5.2
[WGK Germany ]

2
[RTECS ]

SD8925000
[HazardClass ]

5.2
[PackingGroup ]

II
[HS Code ]

29159000
[Safety Profile]

Moderately toxic by ingestion. Mildly toxic by inhalation. Moderate skin and eye irritant. A shockand heat-sensitive explosive. Dangerous fire hazard when exposed to heat, flame, reducing agents. To fight fire, use dry chemical, alcohol foam, spray and mist. When heated to decomposition it emits acrid smoke and fumes. See also PEROXIDES, ORGANIC; and ESTERS
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrogen peroxide-->tert-Butyl hydroperoxide-->2,2-Di(tert-butylperoxy)butane-->TERT-BUTYL CUMYL PEROXIDE-->2,3-Dimethyl-2,3-diphenylbutane-->tert-Butanol-->Acetone-->Cumene-->2-Butanone
[Preparation Products]

tetrahydro-2-furyl acetate-->ACETIC ACID 3-BUTEN-2-YL ESTER-->1-Methylcaffeine-->1-Octen-3-yl acetate-->3-Methyl-2-butanone
Hazard InformationBack Directory
[General Description]

This liquid peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. It's explosion hazard is also mitigated by mixing the peroxide with an inert solid.
[Reactivity Profile]

TERT-BUTYL PEROXYACETATE explodes with great violence when rapidly heated to a critical temperature; pure form is shock sensitive and detonable [Bretherick 1979 p. 602]. Upon contact with organic matter, t-butyl peroxyacetate can ignite or give rise to an explosion [Haz. Chem. Data 1973 p. 77].
[Hazard]

Flammable, dangerous fire risk. Oxidizer.
[Chemical Properties]

clear solution
[Health Hazard]

Mild skin and eye irritant. Its toxicity is low,both via inhalation and ingestion routes.
LD50 value, oral (rats): 675 mg/kg.
[Fire Hazard]

The pure compound is highly reactive and oxidizing, and sensitive to heat and shock.
A 75% solution in benzene or mineral spirits is the maximum assay that is sold commercially. Its benzene solution at this concentration is reactive, oxidizing, and flammable. The flash point varies depending on the solvent; the autoignition temperature not reported; the self-accelerating decomposition temperature is 93°C (199.4°F).
t-Butyl peroxyacetate forms an explosive mixture with air, explosive range not reported. It can ignite or explode when in contact with combustible organic compounds. Fire-extinguishing agent: water from a sprinkler from an explosion-resistant location; keep the containers cool.
[Flammability and Explosibility]

Flammable
[storage]

Store in a cool and well-ventilated placeisolated from other chemicals; protect fromphysical damage. It is shipped in glass andearthenware containers not exceeding 7 lb,inside a wooden or fiberboard box.
[Purification Methods]

Wash the ester with NaHCO3 from a *benzene solution, then redistil to remove *benzene [Kochi J Am Chem Soc 84 774 1962]. Handle with adequate protection due to possible EXPLOSIVE nature. [Beilstein 2 IV 391.]
[References]

[1] J. Wenzel, Sunggyu Lee. “Tert-butyl peroxyacetate initiated semibatch polymerization of 1,1-difluoroethylene in supercritical carbon dioxide.” Polymer Engineering and Science 16 1 (2016): 435–440.
[2] V. A. Donchak, R. S. Yur'ev, S. A. Voronov. “New synthesis of tert-butyl peroxycarboxylates.” Russian Journal of Organic Chemistry 42 4 (2006): 487–490.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

tert-butyl peroxyacetate(107-71-1).msds
Spectrum DetailBack Directory
[Spectrum Detail]

tert-Butyl peroxyacetate(107-71-1)FT-IR
tert-Butyl peroxyacetate(107-71-1)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

tert-Butyl peroxyacetate, 50% solution in aromatic free mineral spirit(107-71-1)
[Sigma Aldrich]

107-71-1(sigmaaldrich)
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