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Dodecyl acetate
FEMA 2616 · LAURYL ACETATE · NSC 67366 · acetatec-12 · LAURYLACETAT · Acetate C-12 · Dodecylacetat · Okimelanolure
Identifikatoren & physikalische Daten
| CAS No. | 112-66-3 |
|---|---|
| Summenformel | C14H28O2 |
| Durchschnittliche Molmasse | 228,37 g/mol |
| Monoisotopische Masse | 228,20893013 g/mol |
| SMILES | CCCCCCCCCCCCOC(C)=O |
| InChIKey | VZWGRQBCURJOMT-UHFFFAOYSA-N |
| PubChem CID | 8205 |
| ChEMBL | CHEMBL2228460 |
| ChEBI | CHEBI:165649 |
| EC No. | 203-995-1 |
| DTXSID | DTXSID7047641 |
Chemische & physikalische Eigenschaften
| XLogP | 5,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 12 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 155 |
| Stoffklassen | Other Classes -> Esters, Other |
| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710] |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (Lauryl acetate) -> IFRA transparency List |
| Pestizide | AttractantsActive substance -> EU Pesticides database: Approved |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.860-0.8650.865 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | soluble in most organic solvents1 ml in 4 ml 80% alcohol (in ethanol)Acetone (Slightly), Chloroform (Slightly), Hexanes (Slightly) |
| Siedepunkt | 150.00 °C. @ 15.00 mm Hg150 °C (15 mmHg)150 °C15 mm Hg(lit.) |
| Schmelzpunkt | 1.3 °C1.3℃ |
| Dampfdruck | 0.000468 [mmHg] |
| FEMA | 2616 | LAURYL ACETATE |
| Brechungsindex | n20/D 1.432(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Geruch | at 100.00 %. sweet fresh laundared cloths clean waxy |
| Geruchsart | waxy |
| Biologische Quelle | synthetic |
| JECFA Number | 133 |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h3-13H2,1-2H3 |
| InChIKey | VZWGRQBCURJOMT-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCOC(C)=O |
| LogP (Verteilungskoeffizient) | 6.02 |
| CAS Datenbank | 112-66-3(CAS DataBase Reference) |
| EPA chemische Informationen | Acetic acid, dodecyl ester (112-66-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 97.6% (1553 of 1592) of all reports.Not ClassifiedAggregated GHS information provided per 1592 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, dodecyl esterReg. (EU) 2008/127, Reg. (EU) 2017/195, Reg. (EU) 2021/745, Reg. (EU) 2022/1251, Reg. (EU) No 540/2011, Reg. (EU) No 918/2014, Reg. (EU)2020/1160Acetic acid, dodecyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Acetic acid, dodecyl ester: Environment tier I assessment |
| Gefahrenübersicht | A mild skin irritant[RTECS] Safe when used as a flavoring agent in food[JECFA] May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2915.39.4000 |
| RTECS-Nr. | AH3525000 |
| R-Sätze (R) | 53 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Aquatic Chronic 4 |
Anwendungen & Verwendung
Beschreibung
Lauryl acetate has a characteristic citrus-rose odor. The corre sponding flavor develops only on dilution. May be prepared by acetylation of lauryl alcohol.
Occurrence
Reported found in sour cherry, cardamom, bitter orange, lime, lemon and mandarin peel oils.
Verwenden
1-Dodecanol Acetate can be used as a foaming agent in the purification process of quartz sand. Furthermore, it is a main component of the essential oil from the flowers of Etlingera elatior (Jack) R. M. Smith, which is found to be active against Staphylococcus aureus, Bacillus cereus, Candida albicans and Cryptococcus neoformans.
Herstellung & Synthese
synthetische
By acetylation of lauryl alcohol.