tert-Butylperacetat
tert-Butyl peroxyacetate
Grundinformationen
- CAS
107-71-1- Standard-SMILES
CC(=O)OOC(C)(C)C- InChIKey
SWAXTRYEYUTSAP-UHFFFAOYSA-N- Summenformel
- C6H12O3
- Durchschnittliche Molmasse
- 132,16 g/mol
- Monoisotopische Masse
- 132,07864424
Überblick
This liquid 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.
Namen und Bezeichner
- Bevorzugter Name
- tert-Butyl peroxyacetate
- IUPAC
- tert-butyl ethaneperoxoate
- Lokaler Name
- tert-Butylperacetat
- Englischer Name
- tert-Butyl peroxyacetate
- Summenformel
- C6H12O3
- Molmasse
- 132.16
Namen und Synonyme
tert-Butyl peroxyacetatetert-Butyl peracetatet-Butyl peracetateLupersol 70t-Butyl peroxyacetateTrigonox F-C50ETHANEPEROXOIC ACID, 1,1-DIMETHYLETHYL ESTERPeroxyacetic acid, tert-butyl esterUNII-FJ3F3S50CSFJ3F3S50CSEINECS 203-514-5NSC 118417
Weitere Namen anzeigen
tert-butyltert-Butyl ethaneperoxoateTrigonox?Flupersol70LUPEROX 7M50LUPEROX 7M75trigonoxf-c50Butylperacetate
BRN 1701510NSC-1184174-02-00-00391 (Beilstein Handbook Reference)BUTYL PERACETATE, TERT-DTXSID9029142ACETYL TERT-BUTYL PEROXIDEBUTYL PEROXYACETATE, TERT. (TERT-BUTYL\PERACETATE)BUTYL PEROXYACETATE, TERT. {TERT-BUTYL\PERACETATE}
Datenbank-Bezeichner
- CAS
107-71-1- PubChem CID
- 61019
- DTXSID
DTXSID9029142- UNII
- FJ3F3S50CS
- EC Number
- 203-514-5
- Nikkaji
- J2.858D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 35,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 101
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Other Classes -> Peroxides, Organic
Flammable agents - 3rd degree
SpringerMaterials PropertiesChemical shift
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
This liquid 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.
Liquid
Liquid; [CAMEO] Solution in 10-30% aliphatic hydrocarbons (Stoddard type): Light yellow liquid with a pungent odor; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -20 °C · -20 °C
- Siedepunkt
- 184.08 °C · 184.08°C (rough estimate)
- Dichte
- 0.828 g/mL · 0.828 g/mL at 25 °C
- Dampfdruck
- 1.966 Pa · 1.966Pa at 25℃
- Brechungsindex
- 20 · n20/D 1.412
- Flammpunkt
- 99 °F · 99 °F
- storage temp.
- Refrigerator (+4°C) + Flammables area
- Aggregatzustand
- Solution
- Farbe
- Clear
- Wasserlöslichkeit
- 3.878 g/L · 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 · 1.6 at 25℃
- CAS Datenbank
- 107 · 107-71-1(CAS DataBase Reference)
- EPA chemische Informationen
- tert-Butyl peroxyacetate (107-71-1)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H226 (19.4%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P234, P235, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P330, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P403+P235, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 629 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H201: (Deleted) Explosive; mass explosion hazard [Danger Explosives]
Gefahrenhinweise
Regulatory Information
Chemical: Ethaneperoxoic acid, 1,1-dimethylethyl ester
Ethaneperoxoic acid, 1,1-dimethylethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethaneperoxoic acid, 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/22656
Ethaneperoxoic acid, 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 Explosive
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)]:
Hazards Summary
A strong oxidizer that may cause fire or explosion on contact with combustible materials; Explosive and sensitive to heat and shock; [CAMEO] A moderate eye irritant; Causes respiratory depression, GI bleeding, abnormal liver function results, and effects on spermatogenesis in acute inhalation studies (species not specified); Causes abnormal recording from peripheral motor nerves, proteinuria, hemolysis, and effects on spermatogenesis and male reproductive organs in acute inhalation studies of rats; [RTECS] Solution in 10-30% aliphatic hydrocarbons (Stoddard type, CAS# 8052-41-3): Organic peroxide that may cause fire or explode on heating; A skin and strong eye irritant; Harmful by ingestion; Possible carcinogen and mutagen; [Sigma-Aldrich MSDS] See Peroxybenzoic acid, t-butyl ester and Diisopropyl peroxydicarbonate.
Reactive GroupPeroxides, Organic
Reactivity AlertsExplosive
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].
DOT Hazard Classification
tert-Butyl peroxyacetate, with more than 76 percent in solution
Forbidden explosives/materials (49 eCFR § 173.54/§ 173.21)
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories
Flam. Liq. 3 (19.4%)
Explosives - Division 1.1
Flammable agents - 3rd degree, Reactive agents - 4th degree
Sicherheit und Schutzausrüstung
Fire FightingExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
First AidExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Nonfire Spill ResponseExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Isolation and EvacuationExcerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Personal Protective Equipment (PPE)Excerpt from ERG Guide 146 [Organic Peroxides (Heat, Contamination and Friction Sensitive)]:
Toxikologische Informationen
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Toxicity DataLC33 (rat) = 8,200 mg/m3/4hr
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3103 5.2
- hs_code
- 29159000
- RTECS-Nr.
- SD8925000
- risk_code
- 23/24/25-36/37/38-40-65-22-10-7-45-46
- hazard_code
- F,T,O,Xi
- safety_code
- 16-26-36/37/39-45-62-47-14-7-53-3/7-36/37-35
- hazard_class
- 5.2
- packing_group
- II
- Speicherklasse
- 5.2 - Organic peroxides and self-reacting hazardous materials
- Hazard Classifications
- Acute Tox. 4 OralAsp. Tox. 1Carc. 1BEye Irrit. 2Flam. Liq. 3Muta. 1BOrg. Perox. CSkin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information
Plastics Product Manufacturing
Ethaneperoxoic acid, 1,1-dimethylethyl ester: ACTIVE
Anwendungen
VerwendenPolymerization initiator for vinyl monomers, manufacture of polyethylene and polystyrene.
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