Butaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester
Basic information
- CAS
2550-33-6- Standard SMILES
CCC(CC)C(=O)OOC(C)(C)C- InChIKey
KXYJPVZMZBJJBZ-UHFFFAOYSA-N- Molecular formula
- C10H20O3
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.1412445
Overview
This peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide with an inert solid.
Names & identifiers
- Preferred name
- Butaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 2-ethylbutaneperoxoate
- English name
- tert-butyl 2-ethylperoxybutyrate
- Molecular formula
- C10H20O3
- Molecular weight
- 188.26
Names & synonyms
tert-Butyl 2-ethylperoxybutyrateButaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl esterEINECS 219-850-0DTXSID0074342TERT-BUTYL PEROXYDIETHYLACETATE, (TECHNICALLY PURE)TERT-BUTYL PEROXYDIETHYLACETATE, [TECHNICALLY PURE]TERT-BUTYL PEROXYDIETHYLACETATERefChem:571295DTXCID5037317219-850-0tert-butyl 2-ethylbutaneperoxoate2550-33-6
Show more names
2-ethylperoxybutyric acid tert-butyl ester2-Ethylbutaneperoxoic acid 1,1-dimethylethyl ester
SCHEMBL3068632KXYJPVZMZBJJBZ-UHFFFAOYSA-NNS00027903
Database identifiers
- CAS
2550-33-6- PubChem CID
- 75694
- DTXSID
DTXSID0074342- EC Number
- 219-850-0
- Nikkaji
- J192.046D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
Physical DescriptionThis peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide with an inert solid.
Physicochemical properties
- Boiling point
- 209.1 · 209.1±23.0 °C(Predicted)
- Density
- 0.923 · 0.923±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · Butaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester (2550-33-6)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Danger
- Hazard statements
- 242 · H242-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P210-P220-P234-P280-P370+P378-P403+P235-P411-P420-P501
- RIDADR
- 3113 · 3113
- TSCA
- TSCA listed
- HazardClass
- 5.2 · 5.2
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
H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P264, P280, P302+P352, P321, P332+P317, P362+P364, P370+P378, P403, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
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 GroupPeroxides, Organic
Reactivity AlertsExplosive
Reactivity ProfileTERT-BUTYL PEROXYDIETHYLACETATE explodes with great violence when rapidly heated to a critical temperature; pure form is shock sensitive and detonable [Bretherick 1979 p. 602].
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester: ACTIVE
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Compound notes
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