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HCID 102465Erstellt: 3. November 2026
tert-Pentyl-2-ethylperoxyhexanoat
TAEC · Amyl peroxycaprylate · amyl peroxy-2-ethylhexanoate · tert-Amylperoxyneopentanoate · t-Amylperoxy 2-ethylhexanoate · tert-Amyl per-2-ethyl hexanoate · tert.-Amylperoxy-2-ethylhexanoat · tert-Amyl peroxy-2-ethylhexanoate
https://huagongshe.com/de/chemical/102465
Identifikatoren & physikalische Daten
| CAS No. | 686-31-7 |
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| Summenformel | C13H26O3 |
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| Durchschnittliche Molmasse | 230,34 g/mol |
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| Monoisotopische Masse | 230,18819469 g/mol |
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| SMILES | CCCCC(CC)C(=O)OOC(C)(C)CC |
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| InChIKey | IFXDUNDBQDXPQZ-UHFFFAOYSA-N |
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| PubChem CID | 102465 |
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| EC No. | 211-687-3 |
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| DTXSID | DTXSID60862368 |
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| Lokaler Name | tert-Pentyl-2-ethylperoxyhexanoat |
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Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
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| Polarare Oberfläche (TPSA) | 35,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 9 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 199 |
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| Physical Description | Tert-amyl peroxy-2-ethylhexanoate appears as colorless to pale yellow liquid. May explode if exposed to heat , shock, or friction. Material must be stored and transported in temperature controlled container. Insoluble in water.CBI |
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| Siedepunkt | 68 °C(Press: 0.5 Torr) |
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| Dichte | 0.9075 g/cm3 |
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| Dampfdruck | 0.019Pa at 25℃ |
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| Löslichkeit | 17.6mg/L at 20℃ |
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| InChI | InChI=1S/C13H26O3/c1-6-9-10-11(7-2)12(14)15-16-13(4,5)8-3/h11H,6-10H2,1-5H3 |
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| InChIKey | IFXDUNDBQDXPQZ-UHFFFAOYSA-N |
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| SMILES | C(OOC(C)(C)CC)(=O)C(CC)CCCC |
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| LogP (Verteilungskoeffizient) | 4.56 at 25℃ |
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| EPA chemische Informationen | Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylpropyl ester (686-31-7) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 26.1% (71 of 272) of reports.DangerH242 (73.9%): Heating may cause a fire [Danger Self-reactive substances and mixturesOrganic peroxides]P210, P234, P235, P240, P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P370+P378, P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 272 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylpropyl esterHexaneperoxoic acid, 2-ethyl-, 1,1-dimethylpropyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylpropyl 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: tert-pentyl 2-ethylperoxyhexanoate (EC: 211-687-3)Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylpropyl 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. |
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| DOT-Kennzeichnung | Organic Peroxide |
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| Brandgefahren | Excerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]: |
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| Gesundheitsgefahren | Excerpt from ERG Guide 148 [Organic Peroxides (Heat and Contamination Sensitive / Temperature Controlled)]: |
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| Reaktive Gruppe | Peroxides, Organic |
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| Reactivity Alerts | Explosive |
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| Reactivity Profile | TERT-AMYL PEROXY-2-ETHYLHEXANOATE explodes with great violence when rapidly heated to a critical temperaturepure form is shock sensitive and detonable [Bretherick 1979 p. 602]. |
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| Air and Water Reactions | Insoluble in water. |
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