Ethylstearat

Ethyl stearate

HCID 8122CAS 111-61-5
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Grundinformationen

Standard-SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC
InChIKey
MVLVMROFTAUDAG-UHFFFAOYSA-N
Summenformel
C20H40O2
Durchschnittliche Molmasse
312,5 g/mol
Monoisotopische Masse
312,30283052

Überblick

Ethyl octadecanoate is an octadecanoate ester obtained by formal condensation between the carboxy group of octadecanoic (stearic) acid and the hydroxy group of ethanol. It has a role as a plant metabolite. It is a long-chain fatty acid ethyl ester and an octadecanoate ester.

Namen und Bezeichner

Bevorzugter Name
Ethyl stearate
IUPAC
ethyl octadecanoate
Lokaler Name
Ethylstearat
Englischer Name
Ethyl stearate
Summenformel
C20H40O2
Molmasse
312.53

Namen und Synonyme

ETHYL STEARATEEthyl octadecanoate111-61-5Stearic acid ethyl esterOctadecanoic acid, ethyl esterEthyl n-octadecanoateStearic acid, ethyl esterFEMA No. 3490octadecanoic acid ethyl esterC64RTC734WNSC-8919DTXSID5059406
Weitere Namen anzeigen
FEMA 3490thyl stearateStearic acid ethylKAK-ESNSC 8919Radia 7185Ethylstearat
CHEBI:84936RefChem:139058DTXCID5033202203-887-4Dicyclohexylammonium sulfateMFCD00009006Dicyclohexylammonium sulphateOctadecanoic acid-ethyl ester

Datenbank-Bezeichner

CAS
111-61-5
PubChem CID
8122
DTXSID
DTXSID5059406
ChEBI
CHEBI:84936
UNII
C64RTC734W
EC Number
203-887-4
Nikkaji
J10.108G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
8,9
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
18
Schwere Atome
22

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
CosmeticsEmollient
FragrancesFragrance Ingredient (Ethyl octadecanoate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.880-0.900
Flavoring AgentsEU Flavoring substances

Physikochemische Eigenschaften

Schmelzpunkt
34 · 34-38 °C(lit.)
Siedepunkt
213 · 213-215 °C15 mm Hg(lit.)
Dichte
1.057 · 1.057
Brechungsindex
1.4349 · 1.4349
FEMA
3490 · 3490 | ETHYL OCTADECANOATE
Flammpunkt
230 °F · >230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 0.7% (1 of 138) of reports.

Warning

H315 (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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Octadecanoic acid, ethyl ester

Octadecanoic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesSkin Irrit. 2 (99.3%)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
hs_code
2915 70 50
RTECS-Nr.
WI3600000
risk_code
36/37/38
hazard_code
Xi

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular

Verwendung und Herstellung

Use Classification · 5 Einträge

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Cosmetics -> Emollient

General Manufacturing InformationOctadecanoic acid, ethyl ester: ACTIVE
Anwendungen · 2 Einträge

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

VerwendenA 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.

Darstellung

synthetischeBy esterification of ethanol with stearic acid.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of stearic acid with the hydroxy group of ethanol.

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