CAS 927-07-1 tert-BUTYL PEROXYPIVALATE (HCID 61238)

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Basic information

CAS: 927-07-1
Standard SMILES: CC(C)(C)OOC(=O)C(C)(C)C
InChIKey: OPQYOFWUFGEMRZ-UHFFFAOYSA-N
Molecular formula: C9H18O3
Average molar mass: 174.24 g/mol
Monoisotopic mass: 174.12559444

Overview

Tert-butyl peroxypivalate is a colorless liquid that solidifies below -19 °C. Decomposes at 70 °C. Flammable and a dangerous fire risk. Heating may cause explosion. Used as a polymerization initiator.

Names & identifiers

Preferred name: tert-BUTYL PEROXYPIVALATE
IUPAC: tert-butyl 2,2-dimethylpropaneperoxoate
English name: tert-Butyl peroxypivalate
Molecular formula: C9H18O3
Molecular weight: 174.24

Names & synonyms

tert-Butyl peroxypivalatet-Butyl peroxypivalatetert-butyl 2,2-dimethylpropaneperoxoateTrigonox 25-C75t-butyl perpivalatePROPANEPEROXOIC ACID, 2,2-DIMETHYL-, 1,1-DIMETHYLETHYL ESTEREINECS 213-147-2BRN 1704745M0P448E3Y6PIVALOYL TERT-BUTYL PEROXIDEDTXSID2027339EC 213-147-2

Show more names

esperox31mlupersol11trigonox25/75trigonox25-c75InitiatingagentPV75%inmineralspiritbutyl peroxypivalatet-butylperoxypivalatet-butylperoxypyvalate

BUTYL PEROXYPIVALATE, TERT-4-02-00-00912 (Beilstein Handbook Reference)TERT-BUTYL TERT-VALERYL PEROXIDETERT-BUTYL 2,2-DIMETHYLPEROXYPROPIONATETERT-BUTYL PEROXYPIVALATE, (<= 77% IN SOLUTION)TERT-BUTYL PEROXYPIVALATE, [<= 77% IN SOLUTION]KAYAESTER PPERBUTYL PV

Database identifiers

CAS: 927-07-1

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 160

Experimental & physicochemical properties

Chemical ClassesFlammable agents - 3rd degree

SpringerMaterials PropertiesChemical shift

Physical Description · 2 items

CBI; Liquid

Physicochemical properties

Melting point: -17 °C · -17°C
Boiling point: 245.22 °C · 245.22°C (rough estimate)
Density: 0.854 · 0.854
vapor pressure: 4.02 hPa · 4.02hPa at 38℃
refractive index: 1.41 · 1.410
Flash point: 68 · 68~71℃
Water Solubility: insoluble
InChI: InChI=1S/C9H18O3/c1-8(2,3)7(10)11-12-9(4,5)6/h1-6H3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H242 (91%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P319, P321, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 177 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 5 items

Chemical: Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester

Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 31-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14312

Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelOrganic Peroxide

Fire HazardsExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:

Health HazardsExcerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]:

Reactive Group

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 2,500,000 - <4,000,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesIntermediate

General Manufacturing Information · 2 items

Plastics Product Manufacturing

Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester: ACTIVE

Applications · 4 items

DescriptionTert-Butyl Peroxypivalate is a flammable and reactive chemical and a dangerous fire and explosion hazard. Tert-Butyl Peroxypivalate is a colorless to light yellow liquid. It is used as a low-temperature initiator for polymerising Ethylene, Vinyl Chloride, and other compounds.

UsesPolymerization initiator.

Usest-Butyl peroxypivalate is used as a polymerizationinitiator to make acrylic polymers.

General DescriptionColorless liquid that solidifies below -19°C Decomposes at 70°C. Flammable and a dangerous fire risk. Heating may cause explosion. Used as a polymerization initiator.