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4-(1-Methylvinyl)cyclohex-1-en-1-methylacetat
FEMA 3561 · PERILLA ACETATE · Perillylacetate · l-perillyl acetate · (S)-PERILLYL ACETATE · Dihydro cuminyl acetate · p-Mentha-1,8-dien-7-ylacetate · p-Mentha-1,8-dien-7-ol,acetate
Identifikatoren & physikalische Daten
| CAS No. | 15111-96-3 |
|---|---|
| Summenformel | C12H18O2 |
| Durchschnittliche Molmasse | 194,27 g/mol |
| Monoisotopische Masse | 194,13067982 g/mol |
| SMILES | C=C(C)C1CC=C(COC(C)=O)CC1 |
| InChIKey | WTXBCFKGCNWPLS-UHFFFAOYSA-N |
| PubChem CID | 61780 |
| EC No. | 239-162-4 |
| DTXSID | DTXSID4051740 |
| Lokaler Name | 4-(1-Methylvinyl)cyclohex-1-en-1-methylacetat |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 263 |
| Duftstoffe | Fragrance Ingredient (p-Mentha-1,8-dien-7-yl acetate) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.972-0.9800.9785 g/cm3 |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | very slightlyInsoluble in watersoluble in oilsMiscible at room temperature (in ethanol) |
| Siedepunkt | 218.00 to 223.00 °C. @ 760.00 mm Hg218-223 °C123-126 °C(Press: 13 Torr) |
| Brechungsindex | 1.476-1.487 |
| Physical Description | Almost colourless or pale yellowish oily liquidWarm-herbaceous spicy odour |
| FEMA | 3561 | P-MENTHA-1,8-DIEN-7-YL ACETATE |
| Wichte | 0.985 |
| Geruch | at 100.00 %. fruity dried fruit phenolic green geranium woody spicy herbal floral |
| Geruchsart | fruity |
| JECFA Number | 975 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 3.61 |
| EPA chemische Informationen | 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetate (15111-96-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (116 of 116) of all reports.Not ClassifiedAggregated GHS information provided per 116 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetateCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetate: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 1-Cyclohexene-1-methanol, 4-(1-methylethenyl)-, acetate: Environment tier I assessment |
| Hazard Classes and Categories | Not Classified |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Occurrence
Reported present in tangerine, orange, bitter orange and lemon peel oils, bergamot oil and grapefruit juice.