Ethylstearat

ETHYL OCTADECANOATE · FEMA 3490 · STEARIC ACID ETHYL ESTER · OCTADECANOIC ACID ETHYL ESTER · thyl stearate · Stearic acid ethyl · KAK-ES · NSC 8919

https://huagongshe.com/de/chemical/8122

Identifikatoren & physikalische Daten

CAS No.	111-61-5
Summenformel	C20H40O2
Durchschnittliche Molmasse	312,5 g/mol
Monoisotopische Masse	312,30283052 g/mol
SMILES	CCCCCCCCCCCCCCCCCC(=O)OCC
InChIKey	MVLVMROFTAUDAG-UHFFFAOYSA-N
PubChem CID	8122
ChEBI	CHEBI:84936
EC No.	203-887-4
DTXSID	DTXSID5059406
Lokaler Name	Ethylstearat

Chemische & physikalische Eigenschaften

XLogP	8,9
Polarare Oberfläche (TPSA)	26,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	18
Schwere Atome	22
Formalladung	0
Komplexität	226
Lipide	Fatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Kosmetika	Emollient
Duftstoffe	Fragrance Ingredient (Ethyl octadecanoate) -> IFRA transparency List
Lebensmittelzusatzstoffe	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte	0.880-0.9001.057
Aromastoffe	EU Flavoring substances
Löslichkeit	Soluble in ethanol and oils, insoluble in water(in ethanol)Chloroform (Slightly), Ethyl Acetate (Slightly)
Siedepunkt	213.00 to 215.00 °C. @ 15.00 mm Hg105 °C at 11mm Hg213-215 °C15 mm Hg(lit.)
Schmelzpunkt	33.4 °C34-38 °C(lit.)
Brechungsindex	1.420-1.4401.4349
Physical Description	SolidColourless, odourless mass
FEMA	3490 \| ETHYL OCTADECANOATE
Flammpunkt	>230 °F
Lagerbedingungen	2-8°C
Aggregatzustand	Crystalline Mass
Farbe	White
Geruch	at 100.00 %. mild waxy
Geruchsart	waxy
Biologische Quelle	synthetic
JECFA Number	40
BRN	1788183
Dielektrizitätskonstante	3.0(40℃)
Hauptanwendungen	flavors and fragrances
Kosmetik-Inhaltsstoffe Funktionen	SKIN CONDITIONING - EMOLLIENTPERFUMING
InChI	1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h3-19H2,1-2H3
InChIKey	MVLVMROFTAUDAG-UHFFFAOYSA-N
SMILES	CCCCCCCCCCCCCCCCCC(=O)OCC
LogP (Verteilungskoeffizient)	9.21
CAS Datenbank	111-61-5(CAS DataBase Reference)
EPA chemische Informationen	Ethyl stearate (111-61-5)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 0.7% (1 of 138) of reports.WarningH315 (99.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 138 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: Octadecanoic acid, ethyl esterOctadecanoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and Categories	Skin Irrit. 2 (99.3%)
Wassergefährdungsklasse (WGK)	2
TSCA-Inventar-Status	TSCA listed
Zollcode	2915 70 50
RTECS-Nr.	WI3600000
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Occurrence

Reported found in Jamaican rum, maple syrup, grapefruit juice, guava, grapes, cognac, rum, whiskey, sparkling wine, mustard, beef, cocoa and corn oil.

Verwenden

A fatty acid ester component of volatile oil from Rhododendron anthopogonoides; shows antimicrobial activity.Ethyl stearate is occasionally used in flavor compositions where a waxy taste (or mouthfeel) is desirable, e.g. in imitation Honey or in certain types of chocolate flavor.

Herstellung & Synthese

synthetische

By esterification of ethanol with stearic acid.