Butyraldehyde supplier | CasNO.123-72-8

Name
Butyraldehyde
EINECS 204-646-6
CAS No. 123-72-8
Article Data1035
CAS DataBase
Density 0.784 g/cm³
Solubility water: 7.1 g/100 mL (25 °C)
Melting Point -96 °C
Formula C₄H₈O
Boiling Point 77.6 °C at 760 mmHg
Molecular Weight 72.1069
Flash Point 12°F
Transport Information UN 1129 3/PG 2
Appearance colourless liquid with a very unpleasant smell
Safety 9-29-33
Risk Codes 11
Molecular Structure
Hazard Symbols F
Synonyms Butyraldehyde(8CI);Butal;Butaldehyde;Butanaldehyde;Butyl aldehyde;Butyral;Butyricaldehyde;Butyrylaldehyde;NSC 62779;n-Butanal;n-Butyl aldehyde;n-Butyraldehyde;n-Butyric aldehyde;Butanal;
PSA 17.07000
LogP 0.98540

Synthetic route

: 71-36-3
butan-1-ol

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With oxidase In water at 40℃; for 1.5h; Reformatsky Reaction; Enzymatic reaction;	100%
With tetramethylammonium monofluorochromate(VI) In dichloromethane at 20℃; for 2h;	98%
With DIQCC In dichloromethane at 20℃; for 0.5h;	98%

: 123-73-9
trans-Crotonaldehyde

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
palladium on charcoal In hexane	100%
With sodium tetrahydroborate; nickel dichloride In methanol; water at 20℃; for 0.25h;	75%
With hydrogen; aluminum oxide; titanium-palladium at 100℃;

: 109-74-0
propyl cyanide

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With potassium carbonate In water; dimethyl sulfoxide at 60℃; for 8h; High pressure; Green chemistry;	99.9%
Stage #1: propyl cyanide With diisobutylaluminium hydride In toluene at -20℃; for 0.222222h; Flow reactor; Stage #2: With water; sodium L-tartrate In toluene at 0℃; chemoselective reaction;	64%
With Diisobutylaluminium hydride(1 M solution in tetrahydrofuran, 4.9 mL, 4.9 mmol) In dichloromethane at -78℃; for 1h;

: 123-73-9
crotonaldehyde

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With hydrogen In 1,4-dioxane at 20℃; for 12h;	99%
With hydrogen; potassium carbonate In acetone at 20℃; under 760.051 Torr; for 0.25h; Concentration; Reagent/catalyst; chemoselective reaction;	99%
With ammonium formate; PdMCM-41 In methanol at 69.84℃; for 1.5h;	88%

: 187737-37-7
propene

: 201230-82-2
carbon monoxide

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With tributylphosphine; hydrogen; cobalt(II) acetate In methanol at 85℃; under 63755.1 Torr; for 30h; Irradiation;	99%
With tributylphosphine; hydrogen; cobalt(II) acetate In methanol at 85℃; under 63755.1 Torr; for 30h; Product distribution; Irradiation; other educt and product, different catalysts, temperatures times pressures with and without irradiation;	99%
With hydrogen; 2,7-bis(SO3Na)-4,5-bis(PPh2)-9,9-Me2-xanthene Rh complex at 100℃; under 9075.91 Torr; for 0.00472222h;	95.6%

: 21303-03-7
butyric acid Li-salt

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 1h; Ambient temperature;	97%

: 111-92-2
dibutylamine

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With tert.-butylhydroperoxide In methanol; decane at 60℃; for 2.75h;	96%
With zinc dichromate trihydrate at 20℃; grinding; neat (no solvent); chemoselective reaction;	92%
With dipotassium peroxodisulfate; sodium carbonate In water for 0.333333h; Rate constant; Irradiation; pH: 11.5, rate constant (k M-1s-1);

: 29949-17-5
1,1-diacetoxybutane

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With 2,6-dicarboxypyridinium chlorochromate In acetonitrile at 20℃; for 0.25h;	95%
With N-Bromosuccinimide; water; silica gel at 20℃; for 0.0666667h; neat (no solvent); chemoselective reaction;	94%
With cellulose sulfonic acid In acetonitrile at 50℃; for 0.5h;	87%

: 10424-98-3
butanal N,N-dimethylhydrazone

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With iron(II) sulfate In chloroform at 20℃; for 0.75h; Hydrolysis;	95%

: 123-73-9
trans-Crotonaldehyde

A: 123-72-8
butyraldehyde

B: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
With (acetylacetonato)dicarbonylrhodium (l); hydrogen In water; toluene at 60℃; under 37503.8 Torr; for 22h; chemoselective reaction;	A 94% B 6%
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; hydrogen In water; toluene at 60℃; under 37503.8 Torr; for 22h; chemoselective reaction;

: 142-84-7
di-n-propylamine

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With 3-carboxypyridinium dichromate In acetonitrile at 20℃; for 0.0833333h;	94%

: 187737-37-7
propene

: 201230-82-2
carbon monoxide

A: 123-72-8
butyraldehyde

B: 78-84-2
isobutyraldehyde

Conditions

Conditions	Yield
With dicarbonylacetylacetonato rhodium (I); C41H30O8P2; hydrogen In toluene at 90℃; under 3750.38 - 7500.75 Torr; for 3h; Reagent/catalyst; regioselective reaction;	A 93.9% B n/a
With tributylphosphine; hydrogen; cobalt(II) acetate In methanol at 85℃; under 60004.8 Torr; for 24h; Irradiation; Yield given. Yields of byproduct given;
With hydrogen; Dioctadecylamine; Rh-distearylamine-1,3-bis-disulfonatophenyl phosphinopropane; rhodium at 125℃; under 202516 Torr; for 2h; Yield given. Yields of byproduct given;

...Expand

: 544-16-1
n-Butyl nitrite

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In diethyl ether for 4h; Ambient temperature;	93%
With dimethyl sulfoxide at 70℃; for 6h;	87.06%
With oxygen at 24.9℃; under 700 Torr; Rate constant; Product distribution; Irradiation; further reactio pressure;	20%

: 22607-10-9
octane-4,5-diol

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With tert-butylhypochlorite; lead acetate; dibenzoyl peroxide In toluene at 20℃; for 0.666667h;	93%

: 107-92-6
butyric acid

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With thexylbromoborane dimethyl sulfide complex In carbon disulfide; dichloromethane at -20 - 20℃; for 1h;	92%
With 9-borabicyclo[3.3.1]nonane dimer; lithium dihydrido borata-bicyclo[3.3.0]nonane In tetrahydrofuran for 1h; Ambient temperature;	90%
With sodium amalgam

: 940-54-5
butyraldehyde phenylhydrazone

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With iron(II) sulfate In chloroform at 20℃; for 0.75h; Hydrolysis;	92%
With tetraamminecopper(2+) bis(permanganate); acetic acid at 14.85℃; Kinetics; Further Variations:; Temperatures;
With acetic acid; bis-[(trifluoroacetoxy)iodo]benzene at 14.85℃; Kinetics; Further Variations:; Temperatures;

: 5616-57-9
2-propyl-1,3-dithiolane

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With thionyl chloride; dihydrogen peroxide In acetonitrile at 25℃; for 0.0333333h;	92%
Stage #1: 2-propyl-1,3-dithiolane In ethanol at 20℃; Stage #2: With water In ethanol at 20℃;	86%

: 71-36-3
butan-1-ol

A: 123-72-8
butyraldehyde

B: 107-92-6
butyric acid

Conditions

Conditions	Yield
With sodium bromate; Ru2(dmnapy)Cl4 for 0.25h; Ambient temperature;	A 91.5% B 2.5%
With C30H24N2O7W; dihydrogen peroxide In water; acetonitrile for 14h; Reflux;	A 67% B 23%
With tert.-butylhydroperoxide; chromium tetra(tert-butoxide) In benzene at 20℃; for 24h;	A 16% B 53%

: 110-69-0
butyraldehyde oxime

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With poly[4-vinyl-N,N-dichlorobenzenesulfonamide] In tetrachloromethane at 40℃; for 5h;	91%
With dihydrogen peroxide; vanadyl acetylacetonate In acetone at 20℃; for 8h;	75%
With cethyltrimethylammonium permanganate In dichloromethane at 4.85℃; Kinetics; Further Variations:; Temperatures;

: 141-75-3
butyryl chloride

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With ammonium hydroxide; formic acid In diethyl ether; chloroform for 0.5h; Ambient temperature;	90%
With Pd-BaSO4; acetic acid ester Hydrogenation;
With Pd-BaSO4; diethyl ether; hydrogen

: 105-54-4
butanoic acid ethyl ester

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With n-butyllithium; diisobutylaluminium hydride; tert-butyl alcohol In tetrahydrofuran; hexane at 0℃;	90%
With sodium tris(diethylamino)aluminum hydride In tetrahydrofuran; dodecane at -78℃; for 6h;	65%
With lithium-tris(diethylamino)hydridoaluminate In tetrahydrofuran at -78℃; for 3h; Reduction;

: 1927-68-0
2-butoxytetrahydropyran

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With bis-trinitratocerium(IV) chromate; montmorillonite K-10 In dichloromethane for 1h; Oxidation; deprotection; Heating;	90%
With HMTAB; silica gel for 0.0305556h; microwave irradiation;	75%

: 78362-94-4
{PPN}{HCr(CO)5}

: 927-58-2
4-bromobutyroyl chloride

A: 65650-76-2
bis(triphenylphosphine)nitrogen{Cr(CO)5Cl}

B: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
In tetrahydrofuran 2 equiv of complex, THF, 25°C;; detected by NMR and IR spectra; and GC analysis,;	A n/a B 90%

...Expand

: 108753-45-3
2-ethyl-4,6-dipropyl-[1,3,5]trioxane

A: 6728-26-3
(E)-2-Hexenal

B: 64-17-5
ethanol

C: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With sulfuric acid for 12h; Time; Reflux;	A 90% B n/a C n/a

...Expand

: 4461-87-4
1,1-dimethoxybutane

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With water; Nafion-H In acetone for 0.5h;	89%
With methyl and sulfonic acid bifunctionalized silica nanoparticle In water; toluene at 50℃; for 1.25h;

: 156-54-7
sodium butyrate

: 123-72-8
butyraldehyde

Conditions

Conditions	Yield
With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 0.5h; Ambient temperature;	89%

: 108-24-7
acetic anhydride

: 123-72-8
butyraldehyde

: 29949-17-5
1,1-diacetoxybutane

Conditions

Conditions	Yield
With chloro-trimethyl-silane; zinc In 1,2-dichloro-ethane at 20℃; for 4h;	100%
With tetrafluoroboric acid at 20℃; for 0.0166667h;	98%
With perchloric acid; silica gel at 20℃; for 0.0166667h;	96%

: 75-52-5
nitromethane

: 123-72-8
butyraldehyde

: 2224-37-5
1-nitropentan-2-ol

Conditions

Conditions	Yield
With sodium hydroxide In ethanol; water at 0℃; for 0.166667h; Addition; Henry reaction;	100%
With P(i-PrNCH2CH2)3N; magnesium sulfate for 0.666667h; Ambient temperature;	98%
With rac-1',2',3',4'-tetrahydro-1,1'-bisisoquinoline In tetrahydrofuran at 20℃; for 24h; Henry Nitro Aldol Condensation;	98%

: 123-72-8
butyraldehyde

: 98-95-3
nitrobenzene

: 1126-78-9
N-(n-butyl)aniline

Conditions

Conditions	Yield
With ammonium formate; palladium on activated charcoal In water; isopropyl alcohol at 20℃; for 0.166667h;	100%
With hydrogen In ethanol at 20℃; for 6h; Green chemistry;	93%
With hydrogen In methanol at 20℃; under 760.051 Torr; for 4h;	92%

: 123-72-8
butyraldehyde

: 62-53-3
aniline

: 1126-78-9
N-(n-butyl)aniline

Conditions

Conditions	Yield
With ammonium formate; palladium on activated charcoal In water; isopropyl alcohol at 20℃; for 0.5h;	100%
With 1.1 wt% Pd/NiO; hydrogen In ethanol at 25℃; under 760.051 Torr; for 10h;	98%
With sodium tetrahydroborate In tetrahydrofuran at 20℃;	96%

: 123-72-8
butyraldehyde

: 110-69-0
butyraldehyde oxime

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; sodium acetate In methanol; water Reflux;	100%
Stage #1: butyraldehyde With hydroxylamine hydrochloride; sodium hydroxide In ethanol; water at 2 - 20℃; Stage #2: With hydrogenchloride In ethanol; water pH=6;	99%
With hydroxylamine hydrochloride at 78℃; for 0.0333333h; Catalytic behavior; Microwave irradiation; Green chemistry;	94%

: 123-72-8
butyraldehyde

: 64344-45-2
(E)-2-ethyl-2-hexenal

Conditions

Conditions	Yield
trimethyl(benzyl)ammonium fluoride In tetrahydrofuran for 6h; Heating;	100%
With L-Tryptophan In ethyl [2]alcohol at 20℃; for 3h; Catalytic behavior; Mechanism; Reagent/catalyst; Solvent; Time; Sealed tube; Green chemistry; diastereoselective reaction;	95%
With lithium perchlorate; triethylamine at 120℃; for 0.333333h; Microwave irradiation; optical yield given as %de; stereoselective reaction;	90%

: 123-72-8
butyraldehyde

: 645-62-5
2-ethylhexenal

Conditions

Conditions	Yield
With (2S)-2-{diphenyl[(trimethylsilyl)oxy]methyl}pyrrolidine; 4-nitro-phenol In benzene-d6 at 20℃; Molecular sieve;	100%
With 1-(2-(1’-piperidine)ethyl)-3-imidazolium chloride zinc acetate at 120℃; for 9h; Autoclave;	98.6%
With sodium hydroxide In water at 120℃; Aldol Condensation;	96%

: 123-72-8
butyraldehyde

: 107-92-6
butyric acid

Conditions

Conditions	Yield
With 2,2,2-trichloroethylperoxycarbonic acid; dihydrogen peroxide In dichloromethane Ambient temperature;	100%
With C4H11FeMo6NO24(3-)*3C16H36N(1+); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 8h; Green chemistry;	99%
With 4H3N4H(1+)CuMo6O18(OH)6(4-); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 12h;	98%

: 123-72-8
butyraldehyde

: 71-36-3
butan-1-ol

Conditions

Conditions	Yield
With Ipc2BOH In pentane at 25℃; for 6h;	100%
With Ca2>2*THF In hexane at 20℃; for 0.5h; other carbonyl compounds, var. calcium tetrakis(alkoxy)alanates, solvents, times, temp.;	99%
With hydrogen; aluminum oxide; copper at 150℃;	99%

: 107-19-7
propargyl alcohol

: 123-72-8
butyraldehyde

: 18864-39-6
(R/S)-hept-2-yne-1,4-diol

Conditions

Conditions	Yield
Stage #1: propargyl alcohol With n-butyllithium In tetrahydrofuran; hexane at -40℃; for 0.333333h; Inert atmosphere; Stage #2: butyraldehyde With cerium(III) chloride In tetrahydrofuran; hexane Reagent/catalyst;	100%
Stage #1: propargyl alcohol With n-butyllithium In tetrahydrofuran; hexane at -40℃; for 0.5h; Inert atmosphere; Stage #2: butyraldehyde In tetrahydrofuran; hexane Inert atmosphere;	70%
In tetrahydrofuran

: 123-75-1
pyrrolidine

: 2033-24-1
cycl-isopropylidene malonate

: 123-72-8
butyraldehyde

: 93498-08-9
2,2-Dimethyl-5-(1-pyrrolidin-1-yl-butyl)-[1,3]dioxane-4,6-dione

Conditions

Conditions	Yield
In diethyl ether for 0.166667h;	100%

...Expand

: 95-14-7
1,2,3-Benzotriazole

: 123-72-8
butyraldehyde

: 111098-58-9
1-(1H-Benzotriazol-1-yl)-1-chlorobutane

Conditions

Conditions	Yield
With thionyl chloride In chloroform for 0.5h; Heating;	100%
With thionyl chloride
With thionyl chloride
With thionyl chloride 1.) benzene, r.t., 0.5 h, 2.) r.t. 2 h; Yield given. Multistep reaction;

: 95-14-7
1,2,3-Benzotriazole

: 123-72-8
butyraldehyde

: 111507-80-3
1-Benzotriazol-1-yl-butan-1-ol

Conditions

Conditions	Yield
at 25℃;	100%

: 7677-24-9
trimethylsilyl cyanide

: 123-72-8
butyraldehyde

: 78485-85-5
2-Trimethylsilanyloxy-pentanenitrile

Conditions

Conditions	Yield
With trans-{(iBu)2ATIGeiPr}2Pt(CN)2 In chloroform-d1 at 50℃; for 2h; Catalytic behavior; Schlenk technique; Glovebox;	100%
With potassium carbonate at 20℃; for 1h;	99%
Stage #1: butyraldehyde With scandium tris(trifluoromethanesulfonate); 1-n-butyl-3-methylimidazolium hexafluoroantimonate at 20℃; for 0.166667h; Stage #2: trimethylsilyl cyanide at 20℃; for 0.0833333h; Inert atmosphere;	99%

: 28240-68-8
methylenebis(dichlorophosphine)

: 123-72-8
butyraldehyde

: methylenebis<(1-chlorobutyl)phosphinic> dichloride

Conditions

Conditions	Yield
	100%

: 63366-52-9, 74411-41-9, 137935-80-9
methylenebis(isopropylphosphinous chloride)

: 123-72-8
butyraldehyde

: methylenebis<(1-chlorobutyl)isopropylphosphine> dioxide

Conditions

Conditions	Yield
	100%

: 57777-70-5
α,α-adamantylidene-N-methyl nitrone

: 123-72-8
butyraldehyde

A: 700-58-3
2-Adamantanone

B: 44603-43-2, 127872-09-7
(Z)-N-(n-butylidene)methylamine N-oxide

Conditions

Conditions	Yield
In tetrahydrofuran for 5.5h; Heating;	A n/a B 100%

...Expand

: 86340-68-3
Chlorodifluoromethyl n-hexyl ketone

: 123-72-8
butyraldehyde

: 86340-80-9
5,5-difluoro-4-hydroxy-6-dodecanone

Conditions

Conditions	Yield
With copper(l) chloride; zinc In tetrahydrofuran Heating;	100%
With molecular sieve; copper(l) chloride; zinc In diethyl ether for 3h; Heating;	100%
With zinc; titanium tetrachloride 1) THF, 15 min, RT, 2) THF, 2 h, RT; Yield given. Multistep reaction;

: 123-72-8
butyraldehyde

: 60-24-2
2-hydroxyethanethiol

: 27001-65-6
2-propyl-1,3-oxathiolan

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In diethyl ether for 3h; Heating;	100%
With iodine In water at 20℃; for 0.05h;	99%
With C22H23O12PS4*HO4S(1-) at 25℃; for 0.5h; Neat (no solvent); chemoselective reaction;	95%

: 123-72-8
butyraldehyde

: 109-77-3
malononitrile

: 87948-15-0
butylidene-propanedinitrile

Conditions

Conditions	Yield
With 1-butyl-1,4-diazabicyclo[2.2.2]octanylium hydrotetrafluoroborate In water at 20℃; for 0.0333333h; Knoevenagel condensation;	100%
With poly-N-methyl-4-vinylpyridinium hydroxide-SiO2-Al2O3 composite at 20℃; for 0.916667h; Knoevenagel condensation; Neat (no solvent);	98%
With 1,4-diaza-bicyclo[2.2.2]octane In water at 20℃; for 0.05h; Knoevenagel Condensation; Green chemistry;	96%

: 123-72-8
butyraldehyde

: 762-72-1
allyl-trimethyl-silane

: 88916-13-6
threo-3-(trimethylsilyl)-4-hydroxy-1-heptene

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide; tert.-butyl lithium; ethylaluminum dichloride In tetrahydrofuran -78 deg C to r.t.;	100%
With chromium dichloride; N-Bromosuccinimide 2) THF, r.t., 2-3 h; Yield given. Multistep reaction;

: 123-72-8
butyraldehyde

: 20175-17-1
2-iodo-3-methylpropanal

Conditions

Conditions	Yield
With iodine; mercury dichloride In dichloromethane at 20℃; for 2h; Darkness;	100%
With iodine; mercury dichloride In dichloromethane for 0.75h; Ambient temperature;	76%

: 88533-61-3
cyclohexylmethyldiphenylphosphine oxide

: 123-72-8
butyraldehyde

: 1-Cyclohexyl-1-diphenylphosphinoylpentan-2-ol

Conditions

Conditions	Yield
With n-butyllithium	100%

: 59983-39-0
(S)-1-amino-2-(methoxymethyl)pyrrolidine

: 123-72-8
butyraldehyde

: 72170-90-2
(2S)-(-)-<(1E)-butylidenamino>-2-(methoxymethyl)pyrrolidine

Conditions

Conditions	Yield
at 20℃;	100%
With magnesium sulfate In dichloromethane at 20℃; for 12h;	90%

: 123-72-8
butyraldehyde

: 60-34-4
methylhydrazine

: N-butylidene-N'-methyl-hydrazine

Conditions

Conditions	Yield
With magnesium sulfate In dichloromethane Condensation;	100%

: 121929-87-1
(R)-1-(4-isopropyl-2-thioxothiazolidin-3-yl)ethanone

: 123-72-8
butyraldehyde

: 331814-79-0
(R)-3-Hydroxy-1-((R)-4-isopropyl-2-thioxo-thiazolidin-3-yl)-hexan-1-one

Conditions

Conditions	Yield
With 1-ethyl-piperidine; tin(II) trifluoromethanesulfonate In dichloromethane at -78℃; for 0.166667h;	100%

: 123-72-8
butyraldehyde

: 196929-78-9
(R)-2-methylpropane-2-sulfinamide

: 479480-49-4
(RS,E)-N-butylidene-2-methylpropane-2-sulfinamide

Conditions

Conditions	Yield
With molecular sieve; copper(II) sulfate In dichloromethane at 20℃;	100%
With pyridinium p-toluenesulfonate; magnesium sulfate In dichloromethane at 20℃; for 24h;	87%
With pyridinium p-toluenesulfonate; magnesium sulfate In dichloromethane at 20℃; for 20h;	85%

: 4102-53-8
4-iodo-2,6-dimethylaniline

: 123-72-8
butyraldehyde

: (4-iodo-2,6-dimethyl-phenyl)-dipropyl-amine

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride; acetic acid In 1,2-dichloro-ethane	100%

Butyraldehyde Specification

The Butanal, with the CAS registry number 123-72-8 and EINECS registry number 204-646-6, is the aldehyde derivative of butane. It is a colourless flammable liquid with an acrid smell, and miscible with most organic solvents. The molecular formula of this chemical is C₄H₈O.

The physical properties of Butanal are as followings: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.88; (6)ACD/BCF (pH 7.4): 2.88; (7)ACD/KOC (pH 5.5): 74.13; (8)ACD/KOC (pH 7.4): 74.13; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.369; (14)Molar Refractivity: 20.76 cm³; (15)Molar Volume: 91.8 cm³; (16)Polarizability: 8.23×10^-24cm³; (17)Surface Tension: 22.5 dyne/cm; (18)Density: 0.784 g/cm³; (19)Enthalpy of Vaporization: 31.86 kJ/mol; (20)Boiling Point: 77.6 °C at 760 mmHg; (21)Vapour Pressure: 96 mmHg at 25°C.

Preparation of Butanal: It can be prepared by the catalytic dehydrogenation of n-butanol. And at one time, it was produced industrially by the catalytic hydrogenation of crotonaldehyde, which is derived from acetaldehyde. It is produced almost exclusively by the hydroformylation of propylene
CH₃CH=CH₂ + H₂ + CO → CH₃CH₂CH₂CHO

Uses of Butanal: It is an important intermediate used in plasticizers, synthetic resins, rubber accelerators and pesticides. It is also a kind of important chemical raw material which is used for the preparation of flavor & aromas.

You should be cautious while dealing with this chemical. It is a kind of highly flammable chemical. Therefore, you had better take the following instructions: Keep container in a well-ventilated place; Do not keep the container sealed; Take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCCC
(2)InChI: InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
(3)InChIKey: ZTQSAGDEMFDKMZ-UHFFFAOYAZ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LC50	inhalation	38gm/m³ (38000mg/m³)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse	LC50	inhalation	44610mg/m³/2H (44610mg/m³)		"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 30, 1982.
mouse	LD50	intraperitoneal	1140mg/kg (1140mg/kg)		Food and Cosmetics Toxicology. Vol. 17, Pg. 731, 1979.
mouse	LD50	subcutaneous	2700mg/kg (2700mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC KIDNEY, URETER, AND BLADDER: HEMATURIA	Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.
rabbit	LD50	skin	3560uL/kg (3.56mL/kg)		Union Carbide Data Sheet. Vol. 7/20/1965,
rat	LCLo	inhalation	8000ppm/4H (8000ppm)		National Technical Information Service. Vol. OTS0516688,
rat	LD50	intraperitoneal	800mg/kg (800mg/kg)		Food and Cosmetics Toxicology. Vol. 17, Pg. 731, 1979.
rat	LD50	oral	2490mg/kg (2490mg/kg)		National Technical Information Service. Vol. OTS0516688,
rat	LD50	subcutaneous	10gm/kg (10000mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC	Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.

Product Name

Butyraldehyde

Synthetic route

Butyraldehyde Specification

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