CAS No.110-38-3,Ethyl caprate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	110-38-3
Name:	Ethyl caprate
Article Data:	51

Formula:	C₁₂H₂₄O₂
Molecular Weight:	200.321
Synonyms:	Capric acidethyl ester;Ethyl caprinate;Ethyl decanoate;Ethyl decylate;Ethyl n-decanoate;NSC 8909;Decanoic acid, ethylester;
EINECS:	203-761-9
Density:	0.87 g/cm³
Melting Point:	-20 °C
Boiling Point:	242.5 °C at 760 mmHg
Flash Point:	102 °C
Solubility:	insoluble in water, miscible with alcohol and chloroform
Appearance:	clear colorless liquid
Safety:	24/25
PSA:	26.30000
LogP:	3.69020

Synthetic route

: 4353-06-4
2-n-nonyl-1,3-dioxolane

: 64-17-5
ethanol

: 110-38-3
decanoic acid ethyl ester

Conditions

Conditions	Yield
With hydrogenchloride; dihydrogen peroxide	99%

: 64-17-5
ethanol

: 334-48-5
1-decanoic acid

: 110-38-3
decanoic acid ethyl ester

Conditions

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

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%

: 64-17-5
ethanol

: 112-13-0
n-decanoyl chloride

: 110-38-3
decanoic acid ethyl ester

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane for 0.1h;	85%
for 2h; Reflux;

: 621-71-6
capric acid triglyceride

: 64-17-5
ethanol

: 110-38-3
decanoic acid ethyl ester

Conditions

Conditions	Yield
With C30H42N2; potassium tert-butylate In tetrahydrofuran at 20℃; for 8h; Molecular sieve;	84%

: 112-31-2
caprinaldehyde

: 64-17-5
ethanol

: 110-38-3
decanoic acid ethyl ester

Conditions

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%

: 111-87-5
octanol

: 1071-46-1
hydrogen ethyl malonate

: 110-38-3
decanoic acid ethyl ester

Conditions

Conditions	Yield
With pyrrolidine; potassium hydroxide; tris(triphenylphosphine)ruthenium(II) chloride; isopropyl alcohol In toluene for 24h; Inert atmosphere; Reflux;	79%

: 124-13-0
Octanal

: 1099-45-2
ethyl (triphenylphosphoranylidene)acetate

: 110-38-3
decanoic acid ethyl ester

Conditions

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%

: 64-17-5
ethanol

: 110-42-9
Methyl decanoate

: 110-38-3
decanoic acid ethyl ester

Conditions

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%

: 141-78-6
ethyl acetate

: 143-08-8
nonyl alcohol

: 110-38-3
decanoic acid ethyl ester

Conditions

Conditions	Yield
With C15H17ClIrNOP; potassium tert-butylate In neat (no solvent) at 60℃; for 12h; Schlenk technique; Inert atmosphere; Glovebox;	61%

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Consensus Reports

Reported in EPA TSCA Inventory.

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%.

Ethyl caprate can be prepared by ethanol and decanoic acid

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%.

Ethyl caprate can be used to get 1,1-dideuterio-decan-1-ol

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