tert-Amyl hydroperoxide (HCID 76962)

Namen und Bezeichner

Bevorzugter Name: tert-Amyl hydroperoxide
IUPAC: 2-hydroperoxy-2-methylbutane
Lokaler Name: tert-Pentylhydroperoxid
Englischer Name: tert-Amyl hydroperoxide
Summenformel: C5H12O2
Molmasse: 104.15

Namen und Synonyme

tert-Amyl hydroperoxide3425-61-4t-Amyl hydroperoxideTrigonox TAHPtert-Pentyl hydroperoxide1,1-Dimethylpropyl hydroperoxidetert-AmylhydroperoxideHydroperoxide, 1,1-dimethylpropyl8DSG8F2WBPtertiary-amyl hydroperoxideJ69.507FTAH 85

Weitere Namen anzeigen

TAHP1-AMYLHYDROPEROXIDETert-amyhyl droperoxide2-hydroperoxy-2-methyl-butane

DTXSID6029256RefChem:891491DTXCID209256222-321-72-hydroperoxy-2-methylbutanetert-Amyl hydroperoxide, tech grade2-methylbutane-2-peroxolEINECS 222-321-7

Datenbank-Bezeichner

CAS: 3425-61-4
PubChem CID: 76962
DTXSID: DTXSID6029256
UNII: 8DSG8F2WBP
EC Number: 222-321-7
Nikkaji: J69.507F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 50

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Peroxides, Organic

Physical DescriptionLiquid; CBI

Physikochemische Eigenschaften

Schmelzpunkt: -70 °C · -70°C
Siedepunkt: 135.3 °C · 135.3°C (rough estimate)
Dichte: 0.905 · 0.905
Dampfdruck: 43.2 hPa · 43.2hPa at 25℃
Brechungsindex: 1.5 · 1.5000 (estimate)
Flammpunkt: 41 ℃ · 41℃
pka: 12.71 · 12.71±0.50(Predicted)
Aggregatzustand: A liquid or gas
Geruch (Odor): clear water-wh. liq. or gas, sharp odor
Wasserlöslichkeit: 63.25 g/L · 63.25g/L at 20℃
InChI: InChI=1S/C5H12O2/c1-4-5(2,3)7-6/h6H,4H2,1-3H3
InChIKey: XRXANEMIFVRKLN-UHFFFAOYSA-N
SMILES: C(OO)(C)(C)CC
LogP: 2.9 · 2.9
EPA chemische Informationen: tert-Amyl hydroperoxide (3425-61-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (97.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P234, P235, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, 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 131 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Hydroperoxide, 1,1-dimethylpropyl is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hydroperoxide, 1,1-dimethylpropyl 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: 07-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5881

Hydroperoxide, 1,1-dimethylpropyl: 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.

Hazards Summary · 1 Eintrag

Causes changes in lung weight, methemoglobinemia, effects to cytochrome oxidases, general anesthesia, acute pulmonary edema, and hematuria in inhalation lethal-concentration and oral lethal-dose studies of rats and mice; [RTECS] See tert-Butyl hydroperoxide.

Hazard Classes and CategoriesFlam. Liq. 3 (97.7%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Toxicity DataLC50 (rat) = 1,510 mg/m3

Sicherheitsdaten

tsca: TSCA listed
ridadr: 3107
hs_code: 29096000
risk_code: 7-11-52/53-68
Toxizität: LD50 orl-rat: 863 mg/kg 85GMAT -,21,82
safety_code: 3/7-14-16-23-36/37/39-61

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 1,000,000 - <5,000,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesPlasticizer

General Manufacturing Information · 2 Einträge

CBI

Hydroperoxide, 1,1-dimethylpropyl: ACTIVE

Anwendungen

Verwendentert-AmylHydroperoxide is a free radical initiator; used in preparation of low-dielectric high-strength resin compound, prepreg and laminate.