HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 226113Erstellt: 3. November 2026
3,4-Dimethylpentanoic acid
3,4-dimethylvalericacid · 3,4-Dimethylpentanoic acid · Pentanoicacid,3,4-dimethyl-
https://huagongshe.com/de/chemical/226113
Identifikatoren & physikalische Daten
| CAS No. | 3302-06-5 |
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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 | CC(C)C(C)CC(=O)O |
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| InChIKey | GETAKGOKCSRVLZ-UHFFFAOYSA-N |
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| PubChem CID | 226113 |
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| ChEBI | CHEBI:180004 |
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| EC No. | 832-505-4 |
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| DTXSID | DTXSID80280282 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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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 | 97,1 |
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| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102] |
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| Siedepunkt | 109 °C(Press: 14 Torr) |
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| Dichte | 0.921 g/cm3(Temp: 25 °C) |
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| pKa (Säurekonstante) | 4.80±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Alarmwort | Achtung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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