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Cyclohexylacetat
FEMA 2349 · Cyclohexanol acetate · H.A. solvent · hexalinacetate · adronalacetate · adronolacetate · Hexalin acetate · hexalineacetate
Identifikatoren & physikalische Daten
| CAS No. | 622-45-7 |
|---|---|
| Summenformel | C8H14O2 |
| Durchschnittliche Molmasse | 142,2 g/mol |
| Monoisotopische Masse | 142,09937969 g/mol |
| SMILES | CC(=O)OC1CCCCC1 |
| InChIKey | YYLLIJHXUHJATK-UHFFFAOYSA-N |
| PubChem CID | 12146 |
| ChEBI | CHEBI:31447 |
| EC No. | 210-736-6 |
| DTXSID | DTXSID6052299 |
| Lokaler Name | Cyclohexylacetat |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 114 |
| Stoffklassen | Flammable agents - 2nd degree |
| Solvents | Solvents -> Esters (<C12) |
| pH | ACID VALUE: 0.2 MAX |
| SpringerMaterials Properties | Boiling point |
| Duftstoffe | Fragrance Ingredient (Cyclohexyl acetate) -> IFRA transparency List |
| LogP (Verteilungskoeffizient) | 2.6402.64 (calculated) |
| Geruch | ODOR REMINISCENT OF AMYL ACETATE |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.966 (USCG, 1999) - Less dense than waterwill float0.968 g/cu cm at 20 °CDensity (at 20 °C): 0.97 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.020.971-0.9780.966 g/mL at 25 °C(lit.) |
| Aromastoffe | EU Flavoring substances |
| Viscosity | 2.34 mm²/s at 20 °C |
| Color/Form | COLORLESS OILY LIQUID |
| Schmelzpunkt | -77 °C |
| Siedepunkt | 172-173 °C(lit.) |
| Brechungsindex | n20/D 1.439(lit.) |
| FEMA | 2349 | CYCLOHEXYL ACETATE |
| Flammpunkt | 136 °F |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | 2g/l1.597g/L(20 ºC) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Geruch | at 100.00 %. fruity sweet musty ethereal |
| Geruchsart | fruity |
| Explosionsgrenze | 0.9%(V) |
| Biologische Quelle | synthetic |
| JECFA Number | 1093 |
| Henry-Konstante | 1.0×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielektrizitätskonstante | 5.0800000000000001 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3 |
| InChIKey | YYLLIJHXUHJATK-UHFFFAOYSA-N |
| SMILES | CC(=O)OC1CCCCC1 |
| LogP (Verteilungskoeffizient) | 2.64 |
| CAS Datenbank | 622-45-7(CAS DataBase Reference) |
| NIST chemische Informationen | Acetic acid, cyclohexyl ester(622-45-7) |
| EPA chemische Informationen | Acetic acid, cyclohexyl ester (622-45-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.1% (39 of 1843) of reports.WarningH226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1843 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Acetic acid, cyclohexyl esterRegulation (EC) No 1831/2003 (amended)Acetic acid, cyclohexyl ester: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | Special Hazards of Combustion Products: Emits toxic fumes under fire conditions. Vapor may travel considerable distance to a source of ignition and flash back. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.Flammable. Above 58 °C explosive vapour/air mixtures may be formed. |
| Brandpotenzial | FLAMMABLE LIQUID WHEN EXPOSED TO HEAT OR FLAME. |
| Gesundheitsgefahren | May be harmful by inhalation, ingestion, or skin absorption. Causes eye and skin irritation. (USCG, 1999)· May cause toxic effects if inhaled or absorbed through skin. |
| Gefahrenübersicht | Narcotic[Hawley] A skin, eye, and respiratory tract irritantInhalation of high concentrations may cause CNS effectsDefats the skin[ICSC] A skin and eye irritant[CAMEO] A moderate skin, eye, nose, and throat irritantInhalation of high concentrations can cause CNS depression[CHEMINFO] Safe when used as a flavoring agent[JECFA] An irritant[MSDSonline] See ORGANIC SOLVENTS. |
Anwendungen & Verwendung
Occurrence
Reported found in sauerkraut.
Verwenden
Cyclohexyl Acetate is a synthetic flavoring agent that is a stable, colorless liquid of fruity odor. it is stored in glass, tin, or resin-lined containers. it is used for flavors such as apple, banana, blackberry, and raspberry with applications in beverages, ice cream, candy, and baked goods at 15–110 ppm.
Herstellung & Synthese
synthetische
By heating the corresponding alcohol with acetic anhydride or acetic acid in the presence of traces of sulfuric acid.