p-Menth-1-en-8-ylpropionat
FEMA 3053 · 3-Cyclohexene-1-methanol,.alpha.,.alpha.,4-trimethyl-,propanoate · Terpenyl propionate · TERPINYL PROPIONATE · Terpineol propionate · Terpinyl n-propionate · a-Terpinyl propionate · ALPHA-TERPINYLPROPIONATE
Identifikatoren & physikalische Daten
| CAS No. | 62395-45-3 |
|---|---|
| Summenformel | C13H22O2 |
| Durchschnittliche Molmasse | 210,31 g/mol |
| Monoisotopische Masse | 210,16197994 g/mol |
| SMILES | CCC(=O)OC(C)(C)C1CC=C(C)CC1 |
| InChIKey | CMKQOKAXUWQAHG-UHFFFAOYSA-N |
| PubChem CID | 62328 |
| ChEMBL | CHEMBL3188389 |
| ChEBI | CHEBI:174065 |
| EC No. | 201-266-2 |
| DTXSID | DTXSID3044833 |
| Lokaler Name | p-Menth-1-en-8-ylpropionat |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 264 |
| Duftstoffe | Fragrance Ingredient (Terpinyl propionate) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.947-0.9520.949 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | soluble in glycerolslightly soluble in propylene glycolinsoluble in watermiscible with alcohol, chloroform, ether, most fixed oils1 ml in 2 ml 80% alcohol (in ethanol)Practically insoluble in water, soluble in alcohol and oils |
| Siedepunkt | 274.00 to 275.00 °C. @ 760.00 mm Hg240 °C240 °C(lit.) |
| Brechungsindex | 1.462-1.468n20/D 1.464(lit.) |
| Physical Description | colourless to slightly yellow liquid with a sweet, floral, herbaceous, lavender-like odour |
| FEMA | 3053 | TERPINYL PROPIONATE |
| Flammpunkt | 71 °C |
| Aggregatzustand | oily liquid |
| Wichte | 0.95 |
| Farbe | Colorless |
| Geruch | at 100.00 %. herbal green old wood citrus geranium tropical |
| Geruchsart | green |
| JECFA Number | 369 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| LogP (Verteilungskoeffizient) | 4.20 |
| EPA chemische Informationen | 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate (80-27-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 98.9% (92 of 93) of all reports.Not ClassifiedAggregated GHS information provided per 93 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoateChemical: Terpineol, propanoate3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in AustraliaIMAP assessments - 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate: Environment tier I assessment |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Toxizität | Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973). |
Anwendungen & Verwendung
Occurrence
Reported found in citrus fruit and celery; also the racemic form (dl) has been identified in cardamom.
Verwenden
Alpha-Terpineol propanoate has acquired fame as a modifier for Lavender and Bergamot but it is really no match for Linalyl acetate or Ethyl Iinalyl acetate except that the Terpinyl propionate is very stable in alkaline media. It is therefore often used in soap, where its low cost is also appreciated. It finds a little use in fruit complex flavor compositions, mainly in Citrus fruits, Lime, Spice (Cardamom) etc. The concentration will be about 1 to 10 ppm in the finished product.
Herstellung & Synthese
synthetische
By esterification of terpineols.