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HCID 29846Erstellt: 27. Oktober 2026
2-Ethyl-2-methylbuttersure
Butanoic acid, 2-ethyl-2-methyl- · RARECHEM AL BO 0611 · 2-Methyl-2-ethylbuty · 2-methyl-2-ethylbutyricacid · 2-ethyl-2-methylbutyric acid · 2-ethyl-2-methyl-butanoicaci · 2-ETHYL-2-METHYLBUTANOIC ACID · 2-METHYL-2-ETHYLBUTANOIC ACID
https://huagongshe.com/de/chemical/29846
Identifikatoren & physikalische Daten
| CAS No. | 19889-37-3 |
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| Summenformel | C7H14O2 |
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| Durchschnittliche Molmasse | 130,18 g/mol |
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| Monoisotopische Masse | 130,09937969 g/mol |
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| SMILES | CCC(C)(CC)C(=O)O |
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| InChIKey | LHJPKLWGGMAUAN-UHFFFAOYSA-N |
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| PubChem CID | 29846 |
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| ChEBI | CHEBI:180006 |
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| EC No. | 243-402-3 |
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| DTXSID | DTXSID7051840 |
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| Lokaler Name | 2-Ethyl-2-methylbuttersure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 37,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 103 |
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| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102] |
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| Collision Cross Section | 130.5 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7051840] |
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| Schmelzpunkt | <-20 °C |
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| Siedepunkt | 210.1°C (estimate) |
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| Dichte | 0.9221 (rough estimate) |
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| Brechungsindex | 1.4320 |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| pKa (Säurekonstante) | 5.00±0.15(Predicted) |
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| Henry-Konstante | 4.3×100 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
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| EPA chemische Informationen | Butanoic acid, 2-ethyl-2-methyl- (19889-37-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 96.5% (55 of 57) of all reports.Not ClassifiedAggregated GHS information provided per 57 reports by companies from 3 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: No longer Valid Update: 04-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18663 |
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| Hazard Classes and Categories | Not Classified |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2915907098 |
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| Toxizität | rat,LD50,oral,> 500uL/kg (0.5mL/kg),BEHAVIORAL: ATAXIABEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY),National Technical Information Service. Vol. OTS0543350, |
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