Grundinformationen
- CAS
111-62-6- Standard-SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC- InChIKey
LVGKNOAMLMIIKO-QXMHVHEDSA-N- Summenformel
- C20H38O2
- Durchschnittliche Molmasse
- 310,5 g/mol
- Monoisotopische Masse
- 310,28718046
Überblick
Ethyl oleate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of oleic acid with the hydroxy group of ethanol. It has a role as an acaricide and a plant metabolite. It is functionally related to an oleic acid.
Namen und Bezeichner
- Bevorzugter Name
- Ethyl Oleate
- IUPAC
- ethyl (Z)-octadec-9-enoate
- Lokaler Name
- Ethyloleat
- Englischer Name
- Ethyl oleate
- Summenformel
- C20H38O2
- Molmasse
- 310.51
Namen und Synonyme
Ethyl oleate111-62-6ethyl (Z)-octadec-9-enoateOleic acid, ethyl esterEthyl cis-9-octadecenoateFEMA No. 2450DTXSID3047633NSC-229428Z2Z439864Y9-Octadecenoic acid (9Z)-, ethyl ester9-Octadecenoic acid, (Z)-, ethyl esterDTXCID1027633
Weitere Namen anzeigen
oleic(Z)-9-OctadecenoicacidethylesterFEMA 2450Ethyl oleate (OA-EE)(Z)-ethyl oleate(9Z)-Ethyloleat
CHEBI:84940NSC229428RefChem:139027203-889-5Oleic acid ethyl ester9-Octadecenoic acid (Z)-, ethyl esterethyl (9Z)-octadec-9-enoate(Z)-9-Octadecenoic acid ethyl ester
Datenbank-Bezeichner
- CAS
111-62-6、85049-36-1- PubChem CID
- 5363269
- DTXSID
DTXSID3047633- ChEMBL
CHEMBL2106289- ChEBI
CHEBI:84940- UNII
- Z2Z439864Y
- EC Number
- 203-889-5、285-206-0
- Nikkaji
- J10.107I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 8
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 17
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 258
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Esters, Other
CosmeticsEmollient
FragrancesFragrance Ingredient (Ethyl oleate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.868-0.873
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in ether
Soluble (in ethanol)
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Boiling Point205-208 °C
Refractive Index1.448-1.453
Physical Description
Liquid
Clear yellow liquid; [Sigma-Aldrich MSDS]
oily, slightly yellowish liquid with a floral odour
Physikochemische Eigenschaften
- Schmelzpunkt
- 32 °C · −32 °C(lit.)
- Siedepunkt
- 216 · 216-218 °C15 mm Hg
- Dichte
- 0.87 g/mL · 0.87 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.451(lit.)
- FEMA
- 2450 · 2450 | ETHYL OLEATE
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 10 % · chloroform: soluble10%
- Aggregatzustand
- Oily Liquid
- Farbe
- Clear
- Geruch (Odor)
- 100 % · at 100.00 %. fatty oily dairy milky waxy tallow
- Geruchsart
- fatty
- Biologische Quelle
- palm oil
- Merck
- 14 · 14,6828
- JECFA Number
- 345 · 345
- BRN
- 1727318 · 1727318
- Dielectric constant
- 3.2 · 3.2(28℃)
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMINGSKIN CONDITIONING - EMOLLIENT
- InChI
- 1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-
- InChIKey
- LVGKNOAMLMIIKO-VAWYXSNFSA-N
- SMILES
- CCCCCCCC\C=C/CCCCCCCC(=O)OCC
- LogP
- 8.69 · 8.69
- CAS Datenbank
- 111 · 111-62-6(CAS DataBase Reference)
- NIST chemische Informationen
- 9 · 9-Octadecenoic acid (Z)-, ethyl ester(111-62-6)
- EPA chemische Informationen
- Ethyl oleate (111-62-6)
- CAS Number Unlabeled
- 111 · 111-62-6
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 99.3% (142 of 143) of all reports.
Not Classified
Aggregated GHS information provided per 143 reports by companies from 2 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (15 of 15) of all reports.
Not Classified
Aggregated GHS information provided per 15 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 9-Octadecenoic acid, ethyl ester, (Z)-
Regulation (EC) No 1831/2003 (amended)
9-Octadecenoic acid (9Z)-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenoic acid (9Z)-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 06-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10992
9-Octadecenoic acid (9Z)-, 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 human health
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Not Classified
Not Classified
Sicherheitsdaten
- F
- 10-23
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29161900
- RTECS-Nr.
- RG3715000
- Toxizität
- rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 20, Pg. 683, 1982.
- safety_code
- 23-24/25-22
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as a flavoring agent; [FDA] Used to flavor animal feeds; [ExPub: EFSA - FEEDAP] Used as a solvent/co-solvent in pesticide products; [ExPub: EPA - RDD] Permitted for use as an inert ingredient in non-food pesticide products; [EPA]
Farming (Pesticides) [Category: Industry]
U.S. Production2023: 38,781 lb
Industry UsesSoil amendments (fertilizers)
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Cosmetics -> Emollient
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
9-Octadecenoic acid (9Z)-, ethyl ester: ACTIVE
Anwendungen
BeschreibungEthyl oleate is a fatty acid ester formed by the condensation of oleic acid and ethanol. It is a colorless to light yellow liquid. Ethyl oleate is produced by the body during ethanol intoxication. Ethyl oleate is used as a solvent for pharmaceutical drug preparations involving lipophilic substances such as steroids. It also finds use as a lubricant and a plasticizer. The Food and Drug Administration regulates its use as a food additive under "Food Additives Permitted for Direct Addition to Food for Human Consumption", 21CFR172.515.
OccurrenceReported found in cocoa, buckwheat, elderberry and babaco fruit (Carica pentagona Heilborn).
VerwendenEthyl oleate is a flavoring and fragrance agent. Usually used to prepare the oily phase of self-microemulsifying drug delivery system (SMEDDS) for tacrolimus (Tac). It was obtained by the hydrolysis of various animal and vegetable fats and oils.
Darstellung
synthetischeEthyl oleate is prepared by the reaction of ethanol with oleoyl chloride in the presence of a suitable hydrogen chloride acceptor. Or by direct esterification of oleic acid with ethyl alcohol in the presence of HCl at the boil; in the presence of Twitchell’s reagent or chlorosulfonic acid.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter100 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]
山西锦洋药用辅料有限公司18234787927
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
陕西唐尧生物科技有限公司18092657875 18091843347 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
吉良化学21-62165282 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
西安康诺化工有限公司84385017 18991787332 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海拓莱化学科技有限公司021-31137757-00; 18121466954;18121466954 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海卓锐化工有限公司021-69180038
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
日照力德士化工有限公司010-51268198 · [email protected]
上海爱蝶实业有限公司021-58957966 18930537195 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
广拓化学（上海）有限公司021-60899189-8001 18918189673 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海有朋化工有限公司021-69005955 13701776567 · [email protected]
北京海力扬化学科技有限公司13718199399 · [email protected]
北京欣赛维化学科技有限公司010-56218822 13717722232 · [email protected]
四川海诺威科技有限公司13708085536 13708085536 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: Ethyl oleate is a long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of oleic acid with the hydroxy group of ethanol. It has a role as a plant metabolite and an acaricide. It is functionally related to an oleic acid.
Zugehörige Reaktionen
13
Notizen zur Verbindung
Wird geladen…