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Cas Database |
| Name |
Ethyl caprate |
EINECS | 203-761-9 |
| CAS No. | 110-38-3 | Density | 0.87 g/cm3 |
| PSA | 26.30000 | LogP | 3.69020 |
| Solubility | insoluble in water, miscible with alcohol and chloroform | Melting Point |
-20 °C |
| Formula | C12H24O2 | Boiling Point | 242.5 °C at 760 mmHg |
| Molecular Weight | 200.321 | Flash Point | 102 °C |
| Transport Information | N/A | Appearance | clear colorless liquid |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Capric acidethyl ester;Ethyl caprinate;Ethyl decanoate;Ethyl decylate;Ethyl n-decanoate;NSC 8909;Decanoic acid, ethylester; |
Article Data | 51 |
Ethyl caprate Synthetic route
| Conditions | Yield |
|---|---|
| With hydrogenchloride; dihydrogen peroxide | 99% |
| Conditions | Yield |
|---|---|
| With alumina methanesulfonic acid at 120℃; for 0.333333h; Microwave irradiation; | 97% |
| With carbon tetrabromide for 9h; Heating; | 91% |
| With 1-methyl-3-butylimidazolium hydrogen sulfate-impregnated propylsulfonic acid-functionalized mesoporous silica SBA-15 at 25 - 30℃; for 40h; Neat (no solvent); | 91% |
- 25542-62-5
6-bromo-hexanoic acid ethyl ester
- 693-04-9
butyl magnesium bromide
- 110-38-3
decanoic acid ethyl ester
| Conditions | Yield |
|---|---|
| With N,N,N,N,-tetramethylethylenediamine; C34H46Cl4N10Ni2O2 In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; Schlenk technique; | 86% |
| With buta-1,3-diene; nickel dichloride In tetrahydrofuran at -78 - 0℃; for 1h; Inert atmosphere; | 79% |
| Conditions | Yield |
|---|---|
| With 1,4-diaza-bicyclo[2.2.2]octane for 0.1h; | 85% |
| for 2h; Reflux; |
| Conditions | Yield |
|---|---|
| With C30H42N2; potassium tert-butylate In tetrahydrofuran at 20℃; for 8h; Molecular sieve; | 84% |
| Conditions | Yield |
|---|---|
| With 3-(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methyl-1-(2,4,6-trimethylphenyl)-1H-imidazol-3-ium iodine salt; caesium carbonate In toluene at 60℃; for 3h; | 80% |
| With C22H29N2O(1+)*I(1-); caesium carbonate In toluene at 60℃; for 3h; | 80% |
| Conditions | Yield |
|---|---|
| With pyrrolidine; potassium hydroxide; tris(triphenylphosphine)ruthenium(II) chloride; isopropyl alcohol In toluene for 24h; Inert atmosphere; Reflux; | 79% |
| Conditions | Yield |
|---|---|
| With N,N-dimethyl acetamide; palladium 10% on activated carbon; hydrogen In ethanol; water at 20℃; under 760.051 Torr; for 22h; chemoselective reaction; | 78% |
| Conditions | Yield |
|---|---|
| With potassium tert-butylate; 1,2,3,4,5-pentamethyl-1H-imidazol-3-ium iodide In tetrahydrofuran at 20℃; for 6h; Molecular sieve; | 69% |
| Conditions | Yield |
|---|---|
| With C15H17ClIrNOP; potassium tert-butylate In neat (no solvent) at 60℃; for 12h; Schlenk technique; Inert atmosphere; Glovebox; | 61% |
Ethyl caprate Consensus Reports
Reported in EPA TSCA Inventory.
Ethyl caprate Specification
The CAS registry number of Ethyl caprate is 110-38-3. With the EINECS registry number 203-761-9, its IUPAC name is ethyl decanoate. In addition, the molecular formula is C12H24O2. What's more, it is a clear colourless liquid with an oily brandy-like odour and mainly used as a food flavor.
Physical properties about this chemical are: (1)ACD/LogP: 4.96; (2)ACD/LogD (pH 5.5): 4.96; (3)ACD/LogD (pH 7.4): 4.96; (4)ACD/BCF (pH 5.5): 3459; (5)ACD/BCF (pH 7.4): 3459; (6)ACD/KOC (pH 5.5): 11878.86; (7)ACD/KOC (pH 7.4): 11878.86; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 10; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.429; (12)Molar Refractivity: 59.41 cm3; (13)Molar Volume: 230 cm3; (14)Polarizability: 23.55 ×10-24cm3; (15)Surface Tension: 29 dyne/cm; (16)Density: 0.87 g/cm3; (17)Flash Point: 102.2 °C; (18)Enthalpy of Vaporization: 47.95 kJ/mol; (19)Boiling Point: 242.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0339 mmHg at 25°C.
Preparation of Ethyl caprate: it can be prepared by ethanol and decanoic acid. This reaction will need catalyst hydrous zirconium oxide. The reaction time is 2 hours at reaction temperature of 200 °C. The yield is about 84%.
Uses of Ethyl caprate: it can be used to get 1,1-dideuterio-decan-1-ol. This reaction will need reagent LiAlD4. The yield is about 95%.
When you are using this chemical, please be cautious about it as the following:
This chemical irritates lungs, eyes and skin. During using it, you should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CCCCCCCCC
(2)Std. InChI: InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
(3)Std. InChIKey: RGXWDWUGBIJHDO-UHFFFAOYSA-N
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