HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 84152Erstellt: 25. Oktober 2026
Methyl-3-hydroxypivalat
methyl 3-hydroxy-2,2-dimethylpropanoate · METHYL HYDROXYPIVALATE · METHYL 2,2-DIMETHYL-3-HYDROXYPROPIONATE · AI3-28360 · methyl 3-hydroxypivalate · MethylHydroxypivalate>Hydroxypivalic acid methyl ester · HYDROXY PIVALIC ACID METHYL ESTERS · Methyl 2,2-dimethyl-3-hydroxypropanoate
https://huagongshe.com/de/chemical/84152
Identifikatoren & physikalische Daten
| CAS No. | 14002-80-3 |
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| Summenformel | C6H12O3 |
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| Durchschnittliche Molmasse | 132,16 g/mol |
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| Monoisotopische Masse | 132,07864424 g/mol |
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| SMILES | COC(=O)C(C)(C)CO |
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| InChIKey | KJRFTNVYOAGTHK-UHFFFAOYSA-N |
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| PubChem CID | 84152 |
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| EC No. | 237-805-3 |
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| DTXSID | DTXSID30161214 |
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| Lokaler Name | Methyl-3-hydroxypivalat |
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Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
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| Polarare Oberfläche (TPSA) | 46,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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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 | 107 |
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| Schmelzpunkt | -16 °C |
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| Siedepunkt | 177-178 °C740 mm Hg(lit.) |
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| Dichte | 1.036 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.428(lit.) |
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| Flammpunkt | 169 °F |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | Soluble in water |
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| Aggregatzustand | Liquid |
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| pKa (Säurekonstante) | 14.21±0.10(Predicted) |
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| Farbe | Clear colorless |
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| InChI | InChI=1S/C6H12O3/c1-6(2,4-7)5(8)9-3/h7H,4H2,1-3H3 |
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| InChIKey | KJRFTNVYOAGTHK-UHFFFAOYSA-N |
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| SMILES | C(OC)(=O)C(C)(C)CO |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29181990 |
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| R-Sätze (R) | 36/37/38 |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Lagerklasse | 10 - Combustible liquids |
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