Ethyl butyrate supplier | CasNO.105-54-4

Name
Ethyl butyrate
EINECS 203-306-4
CAS No. 105-54-4
Article Data200
CAS DataBase
Density 0.87 g/cm³
Solubility practically insoluble in water
Melting Point -93.3 °C
Formula C₆H₁₂O₂
Boiling Point 122.436 °C at 760 mmHg
Molecular Weight 116.16
Flash Point 19.444 °C
Transport Information UN 1180 3/PG 3
Appearance colourless liquid
Safety 16-26-36
Risk Codes 10-36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Ethyl n-butyrate;Butanoic acid ethyl ester;Butyric ester;Butyric ether;CCRIS 6554;Ethyl butanoate;FEMA Number 2427;FEMA No. 2427;UNII-UFD2LZ005D;NSC 8857;
PSA 26.30000
LogP 1.34960

Synthetic route

: 64-17-5
ethanol

: 107-92-6
butyric acid

: 105-54-4
butanoic acid ethyl ester

Conditions

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%

: 2969-81-5
4-bromoethylbutanoate

: 105-54-4
butanoic acid ethyl ester

Conditions

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.

: 533-68-6
2-bromobutyric acid ethyl ester

: 105-54-4
butanoic acid ethyl ester

Conditions

Conditions	Yield
With water; lithium diisopropyl amide In tetrahydrofuran 1) -78 deg C, 30 min 2) 30 min;	98%

: 2969-81-5
4-bromoethylbutanoate

: 32857-48-0
N-(4-bromophenyl)-4-methylbenzenesulfonamide

A: 2050-23-9
diethyl suberate

B: 68-34-8
phenyl toluenesulfonamide

C: 1138239-43-6
4-[4-(toluene-4-sulfonylamino)-phenyl]-butyric acid ethyl ester

D: 51099-99-1
4.4'-(bis-p-toluenesulphonamido)benzidine

E: 105-54-4
butanoic acid ethyl ester

Conditions

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

...Expand

: 107-92-6
butyric acid

: 105-54-4
butanoic acid ethyl ester

Conditions

Conditions	Yield
With 0.08%-SO3H functionalized-benzylated Al-SBA-15 nanoporous catalyst at 79.84℃; for 2h;	96%
With diethyl ether; hydrogen bromide

: 2969-81-5
4-bromoethylbutanoate

: 98-57-7
4-chlorophenyl methyl sulfone

A: 2050-23-9
diethyl suberate

B: 3112-85-4
Methyl phenyl sulfone

C: 1365610-71-4
ethyl 4-(4-(methylsulfonyl)phenyl)butanoate

D: 134368-62-0
4,4'-bis-methanesulfonyl-biphenyl

E: 105-54-4
butanoic acid ethyl ester

Conditions

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

...Expand

: 623-03-0
4-Cyanochlorobenzene

: 2969-81-5
4-bromoethylbutanoate

A: 2050-23-9
diethyl suberate

B: 1591-30-6
(1,1'-biphenyl)-4,4'-dicarbonitrile

C: 131379-33-4
4-cyano-benzenebutanoic acid ethyl ester

D: 105-54-4
butanoic acid ethyl ester

E: 100-47-0
benzonitrile

Conditions

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

...Expand

: 2969-81-5
4-bromoethylbutanoate

: 95-46-5
2-methylphenyl bromide

A: 2050-23-9
diethyl suberate

B: 611-43-8
2,3'-dimethyl-1,1'-biphenyl

C: 105986-51-4
ethyl 4-(o-tolyl)butanoate

D: 105-54-4
butanoic acid ethyl ester

E: 108-88-3
toluene

Conditions

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

...Expand

: 108-86-1
bromobenzene

: 2969-81-5
4-bromoethylbutanoate

A: 92-52-4
biphenyl

B: 2050-23-9
diethyl suberate

C: 10031-93-3
ethyl 4-phenylbutyrate

D: 105-54-4
butanoic acid ethyl ester

E: 71-43-2
benzene

Conditions

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

...Expand

: 623-73-4
diazoacetic acid ethyl ester

: 74-84-0
ethane

: 105-54-4
butanoic acid ethyl ester

Conditions

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%

: 2969-81-5
4-bromoethylbutanoate

: 24398-88-7
ethyl 3-bromobenzoate

A: 2050-23-9
diethyl suberate

B: 93-89-0
benzoic acid ethyl ester

C: 3,3'-dicarbethoxybiphenyl

D: 105-54-4
butanoic acid ethyl ester

E: 364359-10-4
ethyl 3-(3-ethoxycarbonylpropyl)benzoate

Conditions

Conditions	Yield
With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 1,10-Phenanthroline; NiI2*3.5H2O; sodium iodide; zinc at 20 - 60℃; for 15h; chemoselective reaction;	A n/a B n/a C n/a D n/a E 84%

...Expand

: 2969-81-5
4-bromoethylbutanoate

: 99-90-1
para-bromoacetophenone

A: 2050-23-9
diethyl suberate

B: 787-69-9
4,4'-diacetylbiphenyl

C: 71665-59-3
4-(4-acetylphenyl)butyric acid ethyl ester

D: 105-54-4
butanoic acid ethyl ester

E: 98-86-2
acetophenone

Conditions

Conditions	Yield
With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 1,10-Phenanthroline; NiI2*3.5H2O; sodium iodide; zinc at 20 - 60℃; for 25h; chemoselective reaction;	A n/a B n/a C 84% D n/a E n/a

...Expand

: 133-13-1
ethyl diethyl malonate

: 105-54-4
butanoic acid ethyl ester

Conditions

Conditions	Yield
With N-benzyl-trimethylammonium hydroxide In dimethyl sulfoxide at 80℃; for 4h; Decarboxylation;	81%
With stearic acid; tetrabutyl phosphonium bromide at 200℃; for 6h;	79%
With hydrogen; sodium ethanolate at 250℃; under 51485.6 Torr;

: 623-70-1
ethyl (E)-crotonate

: 105-54-4
butanoic acid ethyl ester

Conditions

Conditions	Yield
With [MgBr](1+)*[n-Bu2SnBrIH](1-) In tetrahydrofuran at 20℃; for 1h;	80%
With sodium hydrogen telluride In ethanol for 2h; Ambient temperature;	67 % Spectr.
With methanol; magnesium Ambient temperature; Yield given;

: 64-17-5
ethanol

: 201230-82-2
carbon monoxide

: 109-73-9
N-butylamine

A: 871-71-6
N-butylformamide

B: 539-82-2
ethyl n-valerate

C: 591-62-8
N-(ethoxycarbonyl)butylamine

D: 105-54-4
butanoic acid ethyl ester

Conditions

Conditions	Yield
With oxygen; Sulfate; zirconium(IV) oxide; palladium dichloride at 170℃; under 45003.6 Torr; for 3h; Title compound not separated from byproducts;	A n/a B n/a C 80% D n/a

...Expand

: 2969-81-5
4-bromoethylbutanoate

: 328-87-0
2-chloro-5-(trifluoromethyl)benzonitrile

A: 2050-23-9
diethyl suberate

B: 368-77-4
3-trifluoromethylbenzonitrile

C: 1365610-72-5
ethyl 4-(2-cyano-4-(trifluoromethyl)phenyl)butanoate

D: C16H6F6N2

E: 105-54-4
butanoic acid ethyl ester

Conditions

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 80% D n/a E n/a

...Expand

: 61995-52-6
1-(5-bromo-1H-indol-1-yl)ethan-1-one

: 2969-81-5
4-bromoethylbutanoate

A: 576-15-8
N-acetylindole

B: 2050-23-9
diethyl suberate

C: 1365610-78-1
ethyl 4-(1-acetyl-1H-indol-5-yl)butanoate

D: C20H16N2O2

E: 105-54-4
butanoic acid ethyl ester

Conditions

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 79% D n/a E n/a

...Expand

: 2969-81-5
4-bromoethylbutanoate

: 460-00-4
1-Bromo-4-fluorobenzene

A: 462-06-6
fluorobenzene

B: 2050-23-9
diethyl suberate

C: 398-23-2
4,4'-difluorobiphenyl

D: 1693-05-6
ethyl 4-(4'-fluorophenyl)butanoate

E: 105-54-4
butanoic acid ethyl ester

Conditions

Conditions	Yield
With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 1,10-Phenanthroline; NiI2*3.5H2O; sodium iodide; zinc at 20 - 60℃; for 19h; chemoselective reaction;	A n/a B n/a C n/a D 79% E n/a

...Expand

: 2969-81-5
4-bromoethylbutanoate

: 68716-49-4
p-bromophenylboronic acid pinacol ester

A: 2050-23-9
diethyl suberate

B: 1365610-75-8
ethyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)butanoate

C: 24388-23-6
2-phenyl-4,4,5,5-tetramethyl-1,3,2-dioxoborole

D: 105-54-4
butanoic acid ethyl ester

E: 4,4′-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,1′-biphenyl

Conditions

Conditions	Yield
With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 1,10-Phenanthroline; NiI2*3.5H2O; sodium iodide; zinc at 20 - 60℃; for 20h; chemoselective reaction;	A n/a B 79% C n/a D n/a E n/a

...Expand

: 2398-37-0
3-methoxyphenyl bromide

: 2969-81-5
4-bromoethylbutanoate

A: 2050-23-9
diethyl suberate

B: 6161-50-8
3,3'-dimethoxybiphenyl

C: 57816-01-0
ethyl 4-(3'-methoxyphenyl)butyrate

D: 105-54-4
butanoic acid ethyl ester

E: 100-66-3
methoxybenzene

Conditions

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 78% D n/a E n/a

...Expand

: 2969-81-5
4-bromoethylbutanoate

: 66107-30-0
4-bromophenyl trifluoromethanesulfonate

A: 2050-23-9
diethyl suberate

B: 17763-67-6
Phenyl triflate

C: 1365610-74-7
ethyl 4-(4-(((trifluoromethyl)sulfonyl)oxy)phenyl)butanoate

D: 105-54-4
butanoic acid ethyl ester

E: [1,1'-biphenyl]-4,4'-diyl bis(trifluoromethanesulfonate)

Conditions

Conditions	Yield
With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 1,10-Phenanthroline; NiI2*3.5H2O; sodium iodide; zinc at 20 - 60℃; for 16h; chemoselective reaction;	A n/a B n/a C 76% D n/a E n/a

...Expand

: 2969-81-5
4-bromoethylbutanoate

: 6324-15-8
toluene-4-sulfonic acid 4-bromo-phenyl ester

A: 2050-23-9
diethyl suberate

B: 640-60-8
toluene-4-sulfonic acid phenyl ester

C: 1365610-73-6
ethyl 4-(4-(tosyloxy)phenyl)butanoate

D: 300406-05-7
4'-{[(4-methylphenyl)sulfonyl]oxy}[1,1'-biphenyl]-4-yl 4-methylbenzenesulfonate

E: 105-54-4
butanoic acid ethyl ester

Conditions

Conditions	Yield
With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 1,10-Phenanthroline; NiI2*3.5H2O; sodium iodide; zinc at 20 - 60℃; for 16h; chemoselective reaction;	A n/a B n/a C 76% D n/a E n/a

...Expand

: 10544-63-5
ethyl crotonate

: 105-54-4
butanoic acid ethyl ester

Conditions

Conditions	Yield
With bismuth(III) chloride; sodium tetrahydroborate In ethanol at 15℃; for 2.5h;	75%
With sodium tetrahydroborate; cobalt(II) sulphate heptahydrate In methanol; water at 0 - 21℃; for 0.05h;	47%
With nickel dichloride; zinc In 2-methoxy-ethanol; water at 30℃; for 1h; ultrasonic irradiation;	100 % Chromat.

: 2969-81-5
4-bromoethylbutanoate

: 99-91-2
para-chloroacetophenone

A: 2050-23-9
diethyl suberate

B: 787-69-9
4,4'-diacetylbiphenyl

C: 71665-59-3
4-(4-acetylphenyl)butyric acid ethyl ester

D: 105-54-4
butanoic acid ethyl ester

E: 98-86-2
acetophenone

Conditions

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 75% D n/a E n/a

...Expand

: 106-41-2
4-bromo-phenol

: 2969-81-5
4-bromoethylbutanoate

A: 2050-23-9
diethyl suberate

B: 92-88-6
4,4'-Dihydroxybiphenyl

C: 62889-58-1
4-(4-hydroxyphenyl)butyric acid ethyl ester

D: 105-54-4
butanoic acid ethyl ester

E: 108-95-2
phenol

Conditions

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 74% D n/a E n/a

...Expand

: 2969-81-5
4-bromoethylbutanoate

: 402-43-7
p-trifluoromethylphenyl bromide

A: 2050-23-9
diethyl suberate

B: 581-80-6
4,4'-bis(trifluoromethyl)biphenyl

C: 98-08-8
α,α,α-trifluorotoluene

D: 1235271-20-1
4-(trifluoromethyl)-benzenebutanoic acid ethyl ester

E: 105-54-4
butanoic acid ethyl ester

Conditions

Conditions	Yield
With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 1,10-Phenanthroline; NiI2*3.5H2O; sodium iodide; zinc at 20 - 60℃; for 19h; chemoselective reaction;	A n/a B n/a C n/a D 74% E n/a

...Expand

: 2969-81-5
4-bromoethylbutanoate

: 586-77-6
4-bromo-N,N-dimethylaniline

A: 366-29-0
N,N,N',N'-tetramethylbenzidine

B: 2050-23-9
diethyl suberate

C: 1365610-67-8
ethyl 4-(4-(dimethylamino)phenyl)butanoate

D: 105-54-4
butanoic acid ethyl ester

E: 121-69-7
N,N-dimethyl-aniline

Conditions

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 74% D n/a E n/a

...Expand

: 104-92-7
1-bromo-4-methoxy-benzene

: 2969-81-5
4-bromoethylbutanoate

A: 2050-23-9
diethyl suberate

B: 2132-80-1
4,4'-Dimethoxybiphenyl

C: 4586-89-4
ethyl 4-(4-methoxyphenyl)butanoate

D: 105-54-4
butanoic acid ethyl ester

E: 100-66-3
methoxybenzene

Conditions

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 13h; chemoselective reaction;	A n/a B n/a C 73% D n/a E n/a

...Expand

: 2969-81-5
4-bromoethylbutanoate

: 18246-02-1
(4-bromophenyl)dimethylsilanol

A: 2050-23-9
diethyl suberate

B: 1365610-76-9
ethyl 4-(4-(hydroxydimethylsilyl)phenyl)butanoate

C: 5272-18-4
dimethylphenylsilanol

D: 4852-15-7
4,4'-bis-(dimethylhydroxysilyl)biphenyl

E: 105-54-4
butanoic acid ethyl ester

Conditions

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 73% C n/a D n/a E n/a

...Expand

: 2969-81-5
4-bromoethylbutanoate

: 623-00-7
4-bromobenzenecarbonitrile

A: 2050-23-9
diethyl suberate

B: 1591-30-6
(1,1'-biphenyl)-4,4'-dicarbonitrile

C: 131379-33-4
4-cyano-benzenebutanoic acid ethyl ester

D: 105-54-4
butanoic acid ethyl ester

E: 100-47-0
benzonitrile

Conditions

Conditions	Yield
With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; 1,10-Phenanthroline; NiI2*3.5H2O; sodium iodide; zinc at 20 - 60℃; for 18h; chemoselective reaction;	A n/a B n/a C 69% D n/a E n/a

...Expand

: 111-26-2
hexan-1-amine

: 105-54-4
butanoic acid ethyl ester

: 10264-17-2
N-hexylbutanamide

Conditions

Conditions	Yield
at 40℃; for 1h; lipase SP 382 (from Candida sp.);	100%

: 105-54-4
butanoic acid ethyl ester

: 109-73-9
N-butylamine

: 10264-16-1
N-butyl-butyramide

Conditions

Conditions	Yield
at 40℃; for 1h; lipase SP 382 (from Candida sp.);	100%
Stage #1: N-butylamine With TurboGrignard In tetrahydrofuran at 20℃; for 0.1h; Microreactor; Stage #2: butanoic acid ethyl ester In tetrahydrofuran at 20℃; for 0.233333h; Bodroux reaction; Microreactor;	82%

: 96-29-7
ethyl methyl ketone oxime

: 105-54-4
butanoic acid ethyl ester

: C8H15NO2

Conditions

Conditions	Yield
With sodium ethanolate at 100℃; under 75.0075 Torr; for 5h; Large scale;	99%

: 105-54-4
butanoic acid ethyl ester

: 112-27-6
2,2'-[1,2-ethanediylbis(oxy)]bisethanol

: 26962-26-5
triethylene glycol di-n-butyrate

Conditions

Conditions	Yield
With potassium carbonate at 115 - 140℃;	98%

: 46118-02-9
3-(3',4'-dihydroxyphenyl)-1-propanol

: 105-54-4
butanoic acid ethyl ester

: 3-(3,4-dihydroxyphenyl)propyl butyrate

Conditions

Conditions	Yield
With Novozym 435 at 37℃;	97%

: 60-12-8
2-phenylethanol

: 105-54-4
butanoic acid ethyl ester

: 103-52-6
phenethyl butyrate

Conditions

Conditions	Yield
With iron(III)-acetylacetonate; sodium carbonate In n-heptane at 105℃; for 5h; Inert atmosphere;	97%
With immobilized Burkholderia cepacia lipase In toluene at 44℃; for 3h; Green chemistry; Enzymatic reaction;
Stage #1: 2-phenylethanol With bis(cyclopentadienyl)titanium dichloride; manganese; diiodomethane In tetrahydrofuran at 20℃; for 2.5h; Inert atmosphere; Stage #2: butanoic acid ethyl ester In tetrahydrofuran at 20℃; for 1.5h; Inert atmosphere;
With recombinant acyltransferase from Mycobacterium smegmatis In aq. phosphate buffer at 25℃; for 4h; pH=8; Concentration; Green chemistry; Enzymatic reaction;

: 1068-57-1
acetic acid hydrazide

: 105-54-4
butanoic acid ethyl ester

: 134985-10-7
N-acetyl-N'-butyryl-hydrazine

Conditions

Conditions	Yield
Amano PS Lipase at 25℃; for 72h;	96%

: 105-54-4
butanoic acid ethyl ester

: 137958-31-7
1,2-bis(methylene)-cyclohexane-magnesium

: 140902-48-3
2,3,4,5,6,7-hexahydro-2-n-propyl-1H-inden-2-ol

Conditions

Conditions	Yield
In tetrahydrofuran a) -78 deg C, 30 min, b) from -78 deg C to reflux;	96%

: 3598-26-3
(E)-4-(3-hydroxyprop-1-en-1-yl)benzene-1,2-diol

: 105-54-4
butanoic acid ethyl ester

: 3,4-dihydroxycinnamyl butyrate

Conditions

Conditions	Yield
With Novozym 435 at 37℃;	96%

: 104-92-7
1-bromo-4-methoxy-benzene

: 105-54-4
butanoic acid ethyl ester

: ethyl 2-(4-methoxyphenyl)butanoate

Conditions

Conditions	Yield
Stage #1: butanoic acid ethyl ester With zinc chloride-2,2,6,6-tetramethylpiperidin-1-ide lithium chloride complex In tetrahydrofuran at 25℃; Inert atmosphere; Stage #2: 1-bromo-4-methoxy-benzene With palladium diacetate In tetrahydrofuran at 25℃; for 1h; Inert atmosphere;	96%

: 106105-29-7
2-amino-4,5-dimethyl-1-phenyl-1H-pyrrole-3-carbonamide

: 105-54-4
butanoic acid ethyl ester

: 1395346-60-7
5,6-dimethyl-7-phenyl-2-propyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

Conditions

Conditions	Yield
With sodium ethanolate In ethanol at 80℃; under 15001.5 Torr; for 30h; Inert atmosphere;	96%

: 75-77-4
chloro-trimethyl-silane

: 105-54-4
butanoic acid ethyl ester

: 65946-52-3
1-Ethoxy-1-trimethylsilyloxy-1-buten

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 0.5h;	95%
(i) LDA, (ii) /BRN= 1209232/; Multistep reaction;
With n-butyllithium; diisopropylamine 1.) THF, hexane, -78 deg C, 30 min; 2.) -78 deg C, 15 min; room temp., 1 h; Yield given. Multistep reaction;
With lithium diisopropyl amide In tetrahydrofuran 1.) -78 deg C, 40 min, 2.) -78 deg C, 25 min, 3.) room temperature, 1 h;
Stage #1: butanoic acid ethyl ester With lithium diisopropyl amide In tetrahydrofuran at -78℃; Metallation; Stage #2: chloro-trimethyl-silane In tetrahydrofuran O-silylation;

: 6294-89-9
hydrazinecarboxylic acid methyl ester

: 105-54-4
butanoic acid ethyl ester

: 112800-04-1
N'-Butyryl-hydrazinecarboxylic acid methyl ester

Conditions

Conditions	Yield
Amano PS Lipase at 25℃; for 72h;	95%

: 503-29-7
azetidine

: 105-54-4
butanoic acid ethyl ester

: 164735-75-5
1-butyrylazetidine

Conditions

Conditions	Yield
at 40℃; lipase of Horse Liver Acetonic Powder;	95%

: 367-25-9
2,4-difluorophenylamine

: 105-54-4
butanoic acid ethyl ester

: N-(2,4-difluorophenyl)butyramide

Conditions

Conditions	Yield
Stage #1: 2,4-difluorophenylamine With TurboGrignard In tetrahydrofuran at 20℃; for 0.1h; Microreactor; Stage #2: butanoic acid ethyl ester In tetrahydrofuran at 20℃; for 0.233333h; Bodroux reaction; Microreactor;	95%

: 105-54-4
butanoic acid ethyl ester

: 149193-92-0
3-Amino-3-phenyl-propionic acid tert-butyl ester

A: (S)-3-butanamido-3-phenylpropanoic acid tert-butyl ester

B: 161671-34-7
tert-butyl (R)-3-amino-3-phenylpropionate

Conditions

Conditions	Yield
With lipase A from candida antarctica at 23℃; for 24h; Enzymatic reaction; stereoselective reaction;	A 94% B 94%

...Expand

: 19721-22-3
3-sulfanylpropanol

: 105-54-4
butanoic acid ethyl ester

: Butyric acid 3-mercapto-propyl ester

Conditions

Conditions	Yield
at 28℃; for 24h; lipase from the yeast Candida cylindracea;	93.5%

: 64-19-7
acetic acid

: 105-54-4
butanoic acid ethyl ester

: 141-78-6
ethyl acetate

Conditions

Conditions	Yield
With aluminum (III) chloride at 180℃; for 2h;	93.32%

: 1395346-62-9
2-amino-1-benzyl-4,5-dimethyl-1H-pyrrole-3-carboxamide

: 105-54-4
butanoic acid ethyl ester

: 1395346-65-2
7-benzyl-5,6-dimethyl-2-propyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

Conditions

Conditions	Yield
With sodium ethanolate In ethanol at 80℃; under 15001.5 Torr; for 80h; Inert atmosphere;	93%

: 3-amino-4-methylpentanoic acid tert-butyl ester

: 105-54-4
butanoic acid ethyl ester

A: (R)-3-amino-4-methylpentanoic acid tert-butyl ester

B: (S)-3-butanamido-4-methylpentanoic acid tert-butyl ester

Conditions

Conditions	Yield
With lipase A from candida antarctica at 23℃; for 24h; Enzymatic reaction; stereoselective reaction;	A 90% B 93%

...Expand

: 105-54-4
butanoic acid ethyl ester

: 624-84-0
formic acid hydrazide

: 134985-09-4
C5H10N2O2

Conditions

Conditions	Yield
Amano PS Lipase at 25℃; for 72h;	92%

: 105-54-4
butanoic acid ethyl ester

: 107-92-6
butyric acid

Conditions

Conditions	Yield
With octadecyltriethoxysilane-treated high-silica Hβ-20 zeolite In water at 130℃; for 24h; Reagent/catalyst;	92%
With PIPES buffer; Candida rugosa lipase In water; toluene Rate constant; other enzymes, other solvent;
With Candida antarctica lipase B; 4-nitro-phenol; MOPS buffer In water at 25℃; pH=7.2; Enzyme kinetics; Further Variations:; Reagents; Enzymatic reaction;

: 505-66-8
1,4-Diazacycloheptane

: 105-54-4
butanoic acid ethyl ester

: N-(butyryl)homopiperazine

Conditions

Conditions	Yield
	92%

Ethyl butyrate Specification

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.

Product Name

Ethyl butyrate

Synthetic route

Ethyl butyrate Specification

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