HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 97705Erstellt: 3. November 2026
4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester
Nsc29893 · ethyl 2-acetyl-4-methylpent-4-enoate · 4-Pentenoicacid,2-acetyl-4-methyl-,ethyl · 4-Pentensure, 2-Acetyl-4-methyl-, Ethylester · 2-acetyl-4-methyl-4-pentenoic acid ethyl ester · 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester
https://huagongshe.com/de/chemical/97705
Identifikatoren & physikalische Daten
| CAS No. | 20962-70-3 |
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| Summenformel | C10H16O3 |
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| Durchschnittliche Molmasse | 184,23 g/mol |
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| Monoisotopische Masse | 184,10994437 g/mol |
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| SMILES | C=C(C)CC(C(C)=O)C(=O)OCC |
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| InChIKey | DVIFNSDZOSQUGX-UHFFFAOYSA-N |
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| PubChem CID | 97705 |
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| EC No. | 638-730-2 |
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| DTXSID | DTXSID1051482 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
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| Polarare Oberfläche (TPSA) | 43,4 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 218 |
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| Duftstoffe | Fragrance Ingredient (4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester) -> IFRA transparency List |
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| Siedepunkt | 114-116 °C(Press: 20 Torr) |
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| Dichte | 0.972±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 11.39±0.59(Predicted) |
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| LogP (Verteilungskoeffizient) | 1.664 (est) |
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| EPA chemische Informationen | 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl ester (20962-70-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (24 of 24) of all reports.Not ClassifiedAggregated GHS information provided per 24 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: 4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl esterPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.4-Pentenoic acid, 2-acetyl-4-methyl-, ethyl 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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| Hazard Classes and Categories | Not Classified |
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| TSCA-Inventar-Status | TSCA listed |
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