tert-Butylperacetat

tert-Butyl peroxyacetate

HCID 61019CAS 107-71-1

Grundinformationen

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

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

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 · 3 Einträge

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 · 5 Einträge

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 · 1 Eintrag

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

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

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 · 2 Einträge

Plastics Product Manufacturing

Ethaneperoxoic acid, 1,1-dimethylethyl ester: ACTIVE

Anwendungen

VerwendenPolymerization initiator for vinyl monomers, manufacture of polyethylene and polystyrene.

Anbieter50 Anbieter

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司18171205315; 18171205315 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]

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