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Conditions | Yield |
---|---|
zirconium(IV) oxide at 200℃; in vapor-phase; | 100% |
With HZSM-5 at 170℃; for 12h; Temperature; | 99% |
With Thermomyces lanuginosus lipase immobilized in an ionic-exchange resin at 30℃; for 6h; Concentration; Temperature; Sonication; Molecular sieve; Enzymatic reaction; | 90% |
Conditions | Yield |
---|---|
With chlorotriisopropylsilane; dilauryl peroxide; t-C12H25SH In cyclohexane Heating; also with Et3SiH; | 98% |
With formic acid; tributyl-amine; 10-phenyl-10H-phenothiazine In acetonitrile at 20℃; for 24h; Inert atmosphere; UV-irradiation; | 81% |
With indium(III) chloride; triethyl borane; diisobutylaluminium hydride; oxygen In tetrahydrofuran; hexane at 20℃; | 99 % Spectr. |
Conditions | Yield |
---|---|
With water; lithium diisopropyl amide In tetrahydrofuran 1) -78 deg C, 30 min 2) 30 min; | 98% |
4-bromoethylbutanoate
N-(4-bromophenyl)-4-methylbenzenesulfonamide
A
diethyl suberate
B
phenyl toluenesulfonamide
C
4-[4-(toluene-4-sulfonylamino)-phenyl]-butyric acid ethyl ester
D
4.4'-(bis-p-toluenesulphonamido)benzidine
E
butanoic acid ethyl ester
Conditions | Yield |
---|---|
With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 4,4'-Dimethoxy-2,2'-bipyridin; NiI2*3.5H2O; sodium iodide; zinc at 20 - 60℃; for 16h; chemoselective reaction; | A n/a B n/a C 98% D n/a E n/a |
Conditions | Yield |
---|---|
With 0.08%-SO3H functionalized-benzylated Al-SBA-15 nanoporous catalyst at 79.84℃; for 2h; | 96% |
With diethyl ether; hydrogen bromide |
4-bromoethylbutanoate
4-chlorophenyl methyl sulfone
A
diethyl suberate
B
Methyl phenyl sulfone
C
ethyl 4-(4-(methylsulfonyl)phenyl)butanoate
D
4,4'-bis-methanesulfonyl-biphenyl
E
butanoic acid ethyl ester
Conditions | Yield |
---|---|
With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 4,4'-Dimethoxy-2,2'-bipyridin; NiI2*3.5H2O; sodium iodide; zinc at 20 - 60℃; for 18h; chemoselective reaction; | A n/a B n/a C 94% D n/a E n/a |
4-Cyanochlorobenzene
4-bromoethylbutanoate
A
diethyl suberate
B
(1,1'-biphenyl)-4,4'-dicarbonitrile
C
4-cyano-benzenebutanoic acid ethyl ester
D
butanoic acid ethyl ester
E
benzonitrile
Conditions | Yield |
---|---|
With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 4,4'-Dimethoxy-2,2'-bipyridin; NiI2*3.5H2O; sodium iodide; zinc at 20 - 60℃; for 19h; chemoselective reaction; | A n/a B n/a C 92% D n/a E n/a |
4-bromoethylbutanoate
2-methylphenyl bromide
A
diethyl suberate
B
2,3'-dimethyl-1,1'-biphenyl
C
ethyl 4-(o-tolyl)butanoate
D
butanoic acid ethyl ester
E
toluene
Conditions | Yield |
---|---|
With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 4,4'-Dimethoxy-2,2'-bipyridin; NiI2*3.5H2O; sodium iodide; zinc at 20 - 60℃; for 24h; chemoselective reaction; | A n/a B n/a C 88% D n/a E n/a |
bromobenzene
4-bromoethylbutanoate
A
biphenyl
B
diethyl suberate
C
ethyl 4-phenylbutyrate
D
butanoic acid ethyl ester
E
benzene
Conditions | Yield |
---|---|
With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 4,4'-Dimethoxy-2,2'-bipyridin; NiI2*3.5H2O; sodium iodide; zinc at 20 - 60℃; for 21h; chemoselective reaction; | A n/a B n/a C 86% D n/a E n/a |
Conditions | Yield |
---|---|
With C31H9AgBF27N6O at 40℃; under 22801.5 Torr; for 4h; Supercritical conditions; Sonication; | 84% |
With F27-Tp(4Bo,3CF2CF3)Ag(thf) In carbon dioxide under 190013 Torr; for 14h; Supercritical conditions; | 30% |
The Ethyl butyrate, with the CAS registry number 105-54-4, is also known as Ethyl n-Butyrate. It belongs to the product category of Organics. Its EINECS registry number is 203-306-4. Its IUPAC name is called ethyl butanoate. This chemical's classification code is Skin / Eye Irritant. It is colourless liquid with a fruity odour.
Physical properties of Ethyl butyrate: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.804; (4)ACD/LogD (pH 7.4): 1.804; (5)ACD/BCF (pH 5.5): 13.842; (6)ACD/BCF (pH 7.4): 13.842; (7)ACD/KOC (pH 5.5): 228.288; (8)ACD/KOC (pH 7.4): 228.288; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.398; (13)Molar Refractivity: 31.621 cm3; (14)Molar Volume: 131.058 cm3; (15)Surface Tension: 25.878 dyne/cm; (16)Density: 0.886 g/cm3; (17)Flash Point: 19.444 °C; (18)Enthalpy of Vaporization: 35.47 kJ/mol; (19)Boiling Point: 122.436 °C at 760 mmHg; (20)Vapour Pressure: 13.941 mmHg at 25°C.
Preparation: this chemical can be prepared by butyric acid and ethanol. This reaction will need catalyst sulfuric acid and then by neutralization, washing, drying, distillation. At last, you can obtain the Ethyl butyrate.
Uses of Ethyl butyrate: it is commonly used as artificial flavoring such as pineapple flavoring in alcoholic beverages (e.g. martinis, daiquiris etc), as a solvent in perfumery products, and as a plasticizer for cellulose. It can be used in a variety of flavors orange (most common), cherry, pineapple, mango, guava, bubblegum, peach, apricot, fig, and plum.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is flammable and is irritating to eyes, respiratory system and skin. You should keep away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC(=O)OCC
(2)InChI: InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3
(3)InChIKey: OBNCKNCVKJNDBV-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LD50 | oral | 5228mg/kg (5228mg/kg) | Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972. | |
rabbit | LD50 | skin | > 2gm/kg (2000mg/kg) | Food and Cosmetics Toxicology. Vol. 12, Pg. 719, 1974. | |
rat | LD50 | oral | 13gm/kg (13000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |