ChemicalBook CAS DataBase List 107-71-1

107-71-1

Name	tert-Butyl peroxyacetate
CAS	107-71-1
EINECS(EC#)	203-514-5
Molecular Formula	C6H12O3
MDL Number	MFCD00048240
Molecular Weight	132.16
MOL File	107-71-1.mol

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

Chemical Properties

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. less more
CAS DataBase Reference	107-71-1(CAS DataBase Reference)
EPA Substance Registry System	tert-Butyl peroxyacetate (107-71-1)

Safety Data

Symbol(GHS)	GHS02,GHS07,GHS08
Signal word	Danger
Hazard statements	H226-H242-H302-H304-H315-H319-H335-H336-H340-H350
Precautionary statements	P210-P280-P301+P310-P331-P370+P378-P403+P235
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. less more
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 . less more
RIDADR	UN 3103 5.2
WGK Germany	2
RTECS	SD8925000
TSCA	TSCA listed
REACH Registrations	Active
HazardClass	5.2
PackingGroup	II
HS Code	29159000
Storage Class	5.2 - Organic peroxides and self-reacting hazardous materials
Hazard Classifications	Acute Tox. 4 Oral Asp. Tox. 1 Carc. 1B Eye Irrit. 2 Flam. Liq. 3 Muta. 1B Org. Perox. C Skin Irrit. 2 STOT SE 3
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 less more

Raw materials And Preparation Products

Hazard Information

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.]

Toxics Screening Level

The initial threshold screening level (ITSL) for t-butyl peroxyacetate is 0.06 μg/m3 based on an annual averaging time.

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)

Spectrum Detail

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