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HCID 61985Erstellt: 3. November 2026
Furfuryl octanoate
FEMA 3396 · FURFURYL OCTANOATE · Furfuryl caprylate · FURFURYL OCTANOATE 98+% · ALPHA-FURFURYL OCTANOATE · octanoicacidfurfurylester · furan-2-ylmethyl octanoate · 2-(Furan-2-ylmethyl)octanoate
https://huagongshe.com/de/chemical/61985
Identifikatoren & physikalische Daten
| CAS No. | 39252-03-4 |
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| Summenformel | C13H20O3 |
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| Durchschnittliche Molmasse | 224,3 g/mol |
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| Monoisotopische Masse | 224,1412445 g/mol |
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| SMILES | CCCCCCCC(=O)OCc1ccco1 |
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| InChIKey | JNIWCVWKECYDSV-UHFFFAOYSA-N |
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| PubChem CID | 61985 |
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| ChEBI | CHEBI:174158 |
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| EC No. | 254-381-5 |
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| DTXSID | DTXSID8068171 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
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| Polarare Oberfläche (TPSA) | 39,4 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 9 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 192 |
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| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701] |
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| SpringerMaterials Properties | Dielectric constant |
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| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| Dichte | 0.980-0.9890.978 g/mL at 25 °C(lit.) |
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| Aromastoffe | EU Flavoring substances |
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| Löslichkeit | insoluble in watersoluble in oilsmiscible (in ethanol) |
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| Siedepunkt | 139.00 °C. @ 10.00 mm Hg139 °C (10 mm Hg)139 °C10 mm Hg(lit.) |
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| Brechungsindex | 1.456-1.464n20/D 1.46(lit.) |
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| FEMA | 3396 | ALPHA-FURFURYL OCTANOATE |
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| Flammpunkt | >230 °F |
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| Geruch | at 100.00 %. sweet waxy metallic fruity peach |
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| Geruchsart | waxy |
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| JECFA Number | 742 |
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| LogP (Verteilungskoeffizient) | 4.28 |
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| CAS Datenbank | 39252-03-4 |
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| EPA chemische Informationen | Octanoic acid, 2-furanylmethyl ester (39252-03-4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.Not ClassifiedAggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: Octanoic acid, 2-furanylmethyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Octanoic acid, 2-furanylmethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Not Classified |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2932190090 |
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