Ethyl-3-cyclohexylpropionat

Ethyl cyclohexane propionate

HCID 61466
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Grundinformationen

CAS
10094-36-7
Standard-SMILES
CCOC(=O)CCC1CCCCC1
InChIKey
NRVPMFHPHGBQLP-UHFFFAOYSA-N
Summenformel
C11H20O2
Durchschnittliche Molmasse
184,27 g/mol
Monoisotopische Masse
184,14632988

Überblick

Ethyl 3-cyclohexylpropionate is a fatty acid ester.

Namen und Bezeichner

Bevorzugter Name
Ethyl cyclohexane propionate
IUPAC
ethyl 3-cyclohexylpropanoate
Lokaler Name
Ethyl-3-cyclohexylpropionat
Englischer Name
Ethyl cyclohexanepropionate
Summenformel
C11H20O2
Molmasse
184.28

Namen und Synonyme

Ethyl 3-cyclohexylpropanoate10094-36-7Ethyl cyclohexanepropionateCyclohexanepropanoic acid, ethyl esterEthyl 3-cyclohexylpropionateETHYL CYCLOHEXANE PROPIONATEEthyl cyclohexanepropanoateCyclohexanepropionic acid, ethyl esterEthyl hexahydrophenylpropionateEthyl cyclohexylpropionateFEMA No. 2431NSC-71463
Weitere Namen anzeigen
FEMA 2431ethyl3-cyclohexylpropionateEthyl3-cyclohexylpropanoateETHYL CYCLOHEXANEPROPIONATE 99+%cyclohexanepropanoicacid,ethylester3-Cyclohexyl-propionicacidethylesterETHYL CYCLOHEXANEPROPIONATE USP/EP/BP3-Cyclohexylpropanoic acid ethyl ester
TP836Y7R61EINECS 233-222-3NSC 71463AI3-13192DTXSID00143587ETHYL CYCLOHEXANE PROPIONATE [FHFI]Cyclohexanepropanoic acid, ethyl ester (9CI)Cyclohexanepropionic acid, ethyl ester (8CI)

Datenbank-Bezeichner

CAS
10094-36-7
PubChem CID
61466
DTXSID
DTXSID00143587
ChEBI
CHEBI:171838
UNII
TP836Y7R61
EC Number
233-222-3
Nikkaji
J160.454F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,5
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
5
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesChemical shift
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.926-0.932
Flavoring AgentsEU Flavoring substances
Solubility · 2 Einträge

Insoluble in water; soluble in oils

Miscible at room temperature (in ethanol)

Physikochemische Eigenschaften

Siedepunkt
91 · 91-94 °C8 mm Hg(lit.)
Dichte
0.94 g/mL · 0.94 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.448(lit.)
FEMA
2431 · 2431 | ETHYL CYCLOHEXANEPROPIONATE
Flammpunkt
122 °F · 122 °F
storage temp.
0 · Store at 0-8 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (97.6%): 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 41 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Cyclohexanepropanoic acid, ethyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

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

Hazard Classes and CategoriesFlam. Liq. 3 (97.6%)

Sicherheitsdaten

wgk
3
ridadr
UN 3272 3/PG 3
risk_code
10
safety_code
16
hazard_class
3.2
packing_group
III

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsExtracellular

Verwendung und Herstellung

Use Classification · 4 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Anwendungen · 1 Eintrag

VerwendenSweet and fruity taste in dilutions of about 10 ppm. The power is considerably greater than that of the conventional alifatic esters. This ester is used in Europe and other countries in flavor compositions for candy, etc. In fact, the esters of Cyclohexane acetic acid, Cyclohexane propionic acid and a few homologucs, are quite popular outside of the United States of America. They are usually applied in conjunction with the lower alifatic esters to increase the overall power of the flavor.

Darstellung

synthetischeBy esterification of ethyl cyclohexanol with propionic acid or anhydride.

Vor- und nachgelagerte Produkte

Anbieter27 Anbieter

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

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