Grundinformationen
- Standard-SMILES
CCCCCCCCCC(=O)OCC- InChIKey
RGXWDWUGBIJHDO-UHFFFAOYSA-N- Summenformel
- C12H24O2
- Durchschnittliche Molmasse
- 200,32 g/mol
- Monoisotopische Masse
- 200,17763
Namen und Bezeichner
- Bevorzugter Name
- Ethyl caprate
- IUPAC
- ethyl decanoate
- Lokaler Name
- Ethyldecanoat
- Englischer Name
- Ethyl caprate
- Summenformel
- C12H24O2
- Molmasse
- 200.32
Namen und Synonyme
ETHYL DECANOATEEthyl caprate110-38-3Ethyl decylateDecanoic acid, ethyl esterCapric acid ethyl esterFEMA No. 2432DTXSID0044363GY39FB86UONSC-8909DTXCID8024363CHEBI:87430
Weitere Namen anzeigen
Ethyl DecenoateFEMA 2432Decanoic acid ethylZolpidemumETHYLCAPRINAT
RefChem:138908203-761-9Decanoic Acid Ethyl EsterEthyl caprinateEthyl n-decanoateCapric acid, ethyl esterNSC 8909Decanoic acid-ethyl ester
Datenbank-Bezeichner
- CAS
110-38-3- PubChem CID
- 8048
- DTXSID
DTXSID0044363- ChEMBL
CHEMBL3184829- ChEBI
CHEBI:87430- UNII
- GY39FB86UO
- EC Number
- 203-761-9
- Nikkaji
- J1.974G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 132
Experimentelle und physikochemische Eigenschaften
Density0.863-0.868
Solubility
0.0159 mg/mL at 25 °C
Soluble in most fixed oils, insoluble in glycerol and propylene glycol
1ml in 4ml 80% ethanol (in ethanol)
Boiling Point
241.00 to 245.00 °C. @ 760.00 mm Hg
243 °C
Melting Point-20 °C
Refractive Index1.424-1.427
Physical Description
Liquid
Colourless liquid with an oily brandy-like odour
Kovats Retention Index
1367；1382；1383；1382；1377；1381；1386；1379；1378；1378；1379；1380；1380；1382；1379；1381；1376；1378；1380；1385
1392.2；1395；1393；1392；1396；1373；1399.1；1380；1397；1397；1405；1392；1394；1392；1399；1395；1397；1395；1397；1395
1642；1647；1638；1638；1648；1633；1630；1635；1635；1622；1606；1644；1639；1595；1660；1625；1635；1645；1629；1634
Collision Cross Section154.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0044363]
Physikochemische Eigenschaften
- Schmelzpunkt
- -20 °C · -20°C
- Siedepunkt
- 245 °C · 245 °C(lit.)
- Dichte
- 0.862 g/mL · 0.862 g/mL at 25 °C
- Dampfdichte
- 6.9 · 6.9 (vs air)
- Dampfdruck
- 1.8 Pa · 1.8Pa at 20℃
- Brechungsindex
- 20 · n20/D 1.425
- FEMA
- 2432 · 2432 | ETHYL DECANOATE
- Flammpunkt
- 216 °F · 216 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 2 O: · H2O: insoluble
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- Geruch (Odor)
- 100 % · at 100.00 %. sweet waxy fruity apple grape oily brandy
- Geruchsart
- waxy
- Biologische Quelle
- synthetic
- Explosionsgrenze
- 0.7 % · 0.7%(V)
- Wasserlöslichkeit
- insoluble
- Merck
- 14 · 14,3776
- JECFA Number
- 35 · 35
- BRN
- 1762128 · 1762128
- Henry's Law Constant
- 1.2 · 1.2×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2004)
- Major Application
- flavors and fragrances
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONINGPERFUMINGSKIN CONDITIONING - EMOLLIENT
- InChI
- 1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
- InChIKey
- RGXWDWUGBIJHDO-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCC(=O)OCC
- LogP
- 4.79 · 4.79
- CAS Datenbank
- 110 · 110-38-3(CAS DataBase Reference)
- NIST chemische Informationen
- Decanoic acid, ethyl ester(110-38-3)
- EPA chemische Informationen
- Ethyl decanoate (110-38-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (1642 of 1642) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 1642 of 1642 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 1642 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1642 of 1642 reports by companies.；There are 0 notifications provided by 0 of 1642 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: Decanoic acid, ethyl ester
Status: Active Update: 21-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24031
Ethyl decanoate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Decanoic acid, ethyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Regulatorische Informationen
Regulatory Information
Chemical: Decanoic acid, ethyl ester
Status: Active Update: 21-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24031
Ethyl decanoate: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29159080
- RTECS-Nr.
- HD9420000
- safety_code
- 24/25
- Speicherklasse
- 10 - Combustible liquids
- Selbstentzündungstemperatur
- 310°C
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular；Membrane
Verwendung und Herstellung
Household ProductsInformation on 1 consumer products that contain Ethyl Caprate in the following categories is provided:；• Personal Care
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationDecanoic acid, ethyl ester: ACTIVE
Anwendungen
OccurrenceReported found in cognac, apple, banana, cherry, citrus, grape, melon, pear, pinapple, and more.
Verwendenmanufacture of wine bouquets, cognac essence.
Darstellung
synthetischeEthyl decanoate is prepared by esterification of decanoic acid and ethyl alcohol in the presence of HCl or H2SO4.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
国药集团化学试剂有限公司86-21-63210123 · [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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海弘顺生物科技有限公司15901914505 · [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]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
成都蜀擎医药科技有限公司028-18109011186 18109011186 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
吉良化学21-62165282 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [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]
河南蔚源生物科技有限公司0371-27990887 13703782753 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [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]
青岛保税区鲁联国际贸易有限公司0532-83893697 18561902820 · [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]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
吉水县益康天然香料油提炼厂0796-8128936 19070600085
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]
日照力德士化工有限公司010-51268198 · [email protected]
美岚实业（上海）有限公司021-58958189 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: Ethyl decanoate is a fatty acid ethyl ester of decanoic acid. It has a role as a metabolite. It is a fatty acid ethyl ester and a decanoate ester.
Zugehörige Reaktionen
15
Verknüpfte Notizen
Wird geladen…