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HCID 26608Erstellt: 4. November 2026
2,3-Dimethylbuttersure
2,3-DIMETHYLBUTANOIC ACID · 2,3-methylbutanoic acid · 2,3-DIMETHYLBUTYRIC ACID · Chebi:38650 · 2-METHYLISOVALERIC ACID · Butyricacid,2,3-dimethyl- · Butanoicacid,2,3-dimethyl- · isopropylmethylacetic acid
https://huagongshe.com/de/chemical/26608
Identifikatoren & physikalische Daten
| CAS No. | 14287-61-7 |
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| Summenformel | C6H12O2 |
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| Durchschnittliche Molmasse | 116,16 g/mol |
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| Monoisotopische Masse | 116,08372962 g/mol |
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| SMILES | CC(C)C(C)C(=O)O |
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| InChIKey | XFOASZQZPWEJAA-UHFFFAOYSA-N |
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| PubChem CID | 26608 |
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| ChEBI | CHEBI:38650 |
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| EC No. | 238-208-0 |
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| DTXSID | DTXSID70871229 |
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| Lokaler Name | 2,3-Dimethylbuttersure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
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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 | 2 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 86 |
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| Kovats Retention Index | 874 |
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| Schmelzpunkt | -0.8°C |
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| Siedepunkt | 189.82°C (estimate) |
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| Dichte | 0.9275 |
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| Brechungsindex | 1.4146 |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | Chloroform, Methanol (Sparingly) |
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| Aggregatzustand | Oil |
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| pKa (Säurekonstante) | 4.81±0.11(Predicted) |
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| Farbe | Colourless to Pale Yellow |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Corr. 1B (100%)STOT SE 3 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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