HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 102491Erstellt: 3. November 2026
Methyl-2-ethylhexanoat
Ai3-33653 · Einecs 212-429-2 · methyl 2-ethylhexanoate · 2-Ethylhexanoic acid methyl ester · Hexanoic acid, 2-ethyl-, methyl ester · Fomesafen Impurity 3 (Fluoroglycofen-ethyl)
https://huagongshe.com/de/chemical/102491
Identifikatoren & physikalische Daten
| CAS No. | 816-19-3 |
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| Summenformel | C9H18O2 |
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| Durchschnittliche Molmasse | 158,24 g/mol |
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| Monoisotopische Masse | 158,13067981 g/mol |
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| SMILES | CCCCC(CC)C(=O)OC |
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| InChIKey | KICUISADAVMYCJ-UHFFFAOYSA-N |
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| PubChem CID | 102491 |
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| ChEMBL | CHEMBL1762665 |
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| EC No. | 212-429-2 |
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| DTXSID | DTXSID9052559 |
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| Lokaler Name | Methyl-2-ethylhexanoat |
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Chemische & physikalische Eigenschaften
| XLogP | 3 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 110 |
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| Duftstoffe | Fragrance Ingredient (Hexanoic acid, 2-ethyl-, methyl ester) -> IFRA transparency List |
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| Siedepunkt | 82 °C(Press: 24 Torr) |
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| Dichte | 0.8719 g/cm3 |
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| Dampfdruck | 5.8hPa at 25℃ |
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| Brechungsindex | 1.414 |
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| Lagerbedingungen | Store at room temperature |
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| Löslichkeit | 202mg/L at 20℃ |
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| LogP (Verteilungskoeffizient) | 3.37 at 30℃ |
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| EPA chemische Informationen | Hexanoic acid, 2-ethyl-, methyl ester (816-19-3) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (68.3%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: Hexanoic acid, 2-ethyl-, methyl esterPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.REACH registered substance: Methyl 2-ethylhexanoate (EC: 212-429-2) |
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| Hazard Classes and Categories | Flam. Liq. 3 (68.3%) |
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| TSCA-Inventar-Status | TSCA listed |
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