Tert-butyl peroxyisopropyl carbonate
Basic information
- CAS
2372-21-6- Standard SMILES
CC(C)OC(=O)OOC(C)(C)C- InChIKey
KDGNCLDCOVTOCS-UHFFFAOYSA-N- Molecular formula
- C8H16O4
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.10485899
Overview
Sensitive to heat. Must be stored with stringent maintenance of low temperature.
Names & identifiers
- Preferred name
- Tert-butyl peroxyisopropyl carbonate
- IUPAC
- (2-methylpropan-2-yl)oxy propan-2-yl carbonate
- English name
- tert-Butylperoxy isopropyl carbonate
- Molecular formula
- C8H16O4
- Molecular weight
- 176.21
Names & synonyms
2372-21-6(2-methylpropan-2-yl)oxy propan-2-yl carbonateCarbonoperoxoic acid, OO-(1,1-dimethylethyl) O-(1-methylethyl) estertert-butylperoxy isopropyl carbonate65CY7NX9N8O,O-tert-Butyl isopropyl monoperoxycarbonatetert-butyl isopropyl peroxycarbonateEINECS 219-143-7KAYACARBON BIC 75DTXSID00862908TERT-BUTYL PEROXYISOPROPYL CARBONATE, (TECHNICALLY PURE)TERT-BUTYL PEROXYISOPROPYL CARBONATE, [TECHNICALLY PURE]
Show more names
TBICbpicTBIC-M 75Triginox BPICPerbutyl I 75Trigonox?BPICLuperox? TBIC-M75Trigonox BPIC-C 75
Kayacarbon bicLupersol tbicTrigonox BPICPERBUTYL IRefChem:896475TRIGONOX 149LUPERSOL TBIC-M 75DTXCID20811610
Database identifiers
- CAS
2372-21-6- PubChem CID
- 75406
- DTXSID
DTXSID00862908- UNII
- 65CY7NX9N8
- EC Number
- 219-143-7
- Nikkaji
- J2.148B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
Physical Description
Sensitive to heat. Must be stored with stringent maintenance of low temperature.
Liquid; Large Crystals
Physicochemical properties
- Melting point
- -20 °C · -20 °C
- Boiling point
- 170.8 · 170.8±23.0 °C(Predicted)
- Density
- 0.905 · 0.905
- vapor pressure
- 60 Pa · 60Pa at 22℃
- refractive index
- 20 · n20/D 1.448
- Flash point
- 47 °C · 47 °C
- storage temp.
- Refrigerator (+4°C) + Flammables area
- Water Solubility
- 2.2 g/L · 2.2g/L at 20℃
- LogP
- 2.5 at · 2.5 at 30℃
- FDA UNII
- 65 CY7NX9N8 · 65CY7NX9N8
- EPA Substance Registry System
- Carbonoperoxoic acid, OO-(1,1-dimethylethyl) O-(1-methylethyl) ester (2372-21-6)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (61.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P235, P240, P241, P242, P243, P261, P264, P264+P265, P272, P273, P280, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P332+P317, P333+P317, P362+P364, P370+P378, P370+P380+P375[+P378], P391, P403, P403+P235, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 63 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Carbonoperoxoic acid, OO-(1,1-dimethylethyl) O-(1-methylethyl) ester
Carbonoperoxoic acid, OO-(1,1-dimethylethyl) O-(1-methylethyl) ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbonoperoxoic acid, OO-(1,1-dimethylethyl) O-(1-methylethyl) 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)
REACH registered substance: O,O-tert-butyl isopropyl monoperoxycarbonate (EC: 219-143-7)
DOT LabelOrganic Peroxide
Fire HazardsExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Health HazardsExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Alerts
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Consumer UsesOther
Industry UsesOther
General Manufacturing Information
Plastics Material and Resin Manufacturing
Carbonoperoxoic acid, OO-(1,1-dimethylethyl) O-(1-methylethyl) ester: ACTIVE
Applications
UsesTERT-BUTYLPEROXY ISOPROPYL CARBONATE is used for the polymerization initiator.
General DescriptionSensitive to heat. Must be stored with stringent maintenance of low temperature.
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Compound notes
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