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HCID 8767Erstellt: 4. November 2026
3,7-Dimethyl-6-octenylphenylacetat
CITRONELLYL PHENYLACETATE · FEMA 2315 · CITRONELLYL ALPHA-TOLUATE · 4-Cresyl Phenylacetate Crystal · 3,7-Dimethyl-6-octylphenylacetate · 3,7-Dimethyl-6-octenylphenylacetat · 3,7-dimethyl-6-octenyl phenylacetate · 3,7-dimethyloct-6-enyl 2-phenylacetate
https://huagongshe.com/de/chemical/8767
Identifikatoren & physikalische Daten
| CAS No. | 139-70-8 |
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| Summenformel | C18H26O2 |
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| Durchschnittliche Molmasse | 274,4 g/mol |
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| Monoisotopische Masse | 274,19328007 g/mol |
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| SMILES | CC(C)=CCCC(C)CCOC(=O)Cc1ccccc1 |
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| InChIKey | CVJBFMVLVJZZMM-UHFFFAOYSA-N |
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| PubChem CID | 8767 |
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| EC No. | 205-373-5 |
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| DTXSID | DTXSID90861804 |
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| Lokaler Name | 3,7-Dimethyl-6-octenylphenylacetat |
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Chemische & physikalische Eigenschaften
| XLogP | 5,4 |
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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 | 9 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 297 |
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| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701] |
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| Duftstoffe | Fragrance Ingredient (Citronellyl phenylacetate) -> IFRA transparency List |
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| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| Dichte | 0.958-0.9600.9965 (rough estimate) |
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| Aromastoffe | EU Flavoring substances |
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| Löslichkeit | Insoluble in watersoluble in oilsMiscible at room temperature (in ethanol) |
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| Siedepunkt | 342.00 °C. @ 760.00 mm Hg342 °C377.38°C (rough estimate) |
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| Brechungsindex | 1.492-1.5101.5510 (estimate) |
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| Physical Description | Colourless, somewhat viscous liquidsweet-herbaceous-rosy, yet heavy and very tenacious odour, reminiscent of the petals of roses |
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| FEMA | 2315 | CITRONELLYL PHENYLACETATE |
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| Geruch | at 100.00 %. fresh sweet honey rose waxy |
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| Geruchsart | floral |
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| JECFA Number | 1021 |
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| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
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| LogP (Verteilungskoeffizient) | 6.07 |
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| EPA chemische Informationen | Benzeneacetic acid, 3,7-dimethyl-6-octenyl ester (139-70-8) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (91 of 91) of all reports.Not ClassifiedAggregated GHS information provided per 91 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: Benzeneacetic acid, 3,7-dimethyl-6-octenyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzeneacetic acid, 3,7-dimethyl-6-octenyl ester: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - Benzeneacetic acid, 3,7-dimethyl-6-octenyl ester: Human health tier I assessment |
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| Hazard Classes and Categories | Not Classified |
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| TSCA-Inventar-Status | TSCA listed |
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