Butyl acetate supplier | CasNO.123-86-4

Name
Butyl acetate
EINECS 204-658-1
CAS No. 123-86-4
Article Data259
CAS DataBase
Density 0.88 g/cm³
Solubility 0.7 g/100 mL (20 °C) in water
Melting Point -74 °C (199 K, -101°F)
Formula C₆H₁₂O₂
Boiling Point 126 °C (399 K, 256°F)
Molecular Weight 116.16
Flash Point 24 °C (297 K)
Transport Information UN 1123 3/PG 3
Appearance colourless liquid with fruity odor
Safety 25
Risk Codes 10-66-67
Molecular Structure
Hazard Symbols R10:; R66:; R67:;
Synonyms BA
PSA 26.30000
LogP 1.34960

Synthetic route

: 64-19-7
acetic acid

: 71-36-3
butan-1-ol

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
With crosslinked sulphonated polystyrene at 80℃; for 2h; Product distribution; other acids and solvents; var. catalysts, temp. and time;	100%
zirconium(IV) oxide for 2h; Heating;	100%
phosphomolybdic acid hydrate at 65 - 70℃; for 1h; Product distribution; Further Variations:; Catalysts; Reaction partners;	100%

: 105-46-4
sec-Butyl acetate

: 71-36-3
butan-1-ol

A: 123-86-4
acetic acid butyl ester

B: 78-92-2, 15892-23-6
iso-butanol

Conditions

Conditions	Yield
With water; sodium butanolate at 30℃; for 0.0833333h; carried out in a reaction-distillation unit, industrial preparation;	A n/a B 100%

...Expand

: 108-24-7
acetic anhydride

: 71-36-3
butan-1-ol

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
With N-methylmorpholinium propanesulfonic acid ammonium hydrogensulfate at 25℃; for 0.0333333h; Inert atmosphere; neat (no solvent); chemoselective reaction;	99%
With SBA-15-Ph-Pr-SO3H at 20℃; for 0.05h;	99%
With sulfonic group functionalized polyacrylonitrile preoxidated nanofiber mat at 60℃; for 3h;	99.58%

Reaxys ID: 11464599: Reaxys ID: 11464599

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
at 105℃;	99.1%
With hydrogen at 95.5℃;	99.1%
at 102℃;	95%
With hydrogen at 95.5℃; under 6750.68 Torr;	94%

: 141-78-6
ethyl acetate

: 71-36-3
butan-1-ol

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
With 2C18H22N4Zn(2+)2C2F3O2(1-) for 18h;	99%
With K5 for 2h; Heating;	92%
With tin(IV) oxide at 200℃; further conditions: liquid phase, reflux;	82%

: 108-05-4
vinyl acetate

: 71-36-3
butan-1-ol

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
With pseudomonas fuorescens lipase immobilized on multiwall carbon nano-tubes at 50℃; for 4.5h; Green chemistry;	99%
With porcine pancreatic lipase In tetrahydrofuran for 48h; Ambient temperature; Yield given;
With steapsin lipase In hexane at 55℃; for 24h; Enzymatic reaction;	99 %Chromat.

: 64-19-7
acetic acid

: 143885-04-5
butyloxy(diphenyl)-λ6-sulfanenitrile

A: 123-86-4
acetic acid butyl ester

B: 22731-83-5
S,S-diphenylsulphoximine

Conditions

Conditions	Yield
With hydrogenchloride In chloroform-d1 at 20℃; for 0.25h;	A 99% B n/a

...Expand

Reaxys ID: 11465424: Reaxys ID: 11465424

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
at 95.5℃;	98.8%

: 109-65-9
1-bromo-butane

: 127-08-2
potassium acetate

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
With tetrabutylammomium bromide In neat (no solvent) at 60℃; for 2h;	98%
Aliquat 336 for 20h; Ambient temperature;	93%
PEG-400; silica gel In toluene for 3h; Heating; var. catalysts;	56%
With aluminum oxide 1.) water, 2.) 85 deg C, 20 h;	50%
With 18-crown-6-based covalent organic framework In acetonitrile at 85℃; for 5h;	85 %Chromat.

: 126-73-8
phosphoric acid tributyl ester

: 127-09-3
sodium acetate

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
at 200 - 220℃; for 5h;	96%
Heating;

: 75-36-5
acetyl chloride

: 71-36-3
butan-1-ol

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
zirconium(IV) oxychloride at 20℃; for 0.0333333h;	95%
With zinc(II) oxide at 20℃; for 0.25h;	95%
bismuth(III) oxychloride at 20℃; for 0.0333333h;	95%

: 122-79-2
Phenyl acetate

: 71-36-3
butan-1-ol

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
With 2Zn(2+)C20H14N44C2H3O2(1-)*1.5CH4O In neat (no solvent) at 50℃; for 18h; Temperature; Reagent/catalyst; Solvent;	95%
With acetic acid for 0.166667h; Microwave irradiation; neat (no solvent);
With C21H31N2O12Zn2(1+)2H2OC2H3O2(1-) at 50℃; for 20h; Reagent/catalyst; Sealed tube;	68 %Chromat.

: 591-87-7
Allyl acetate

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
at 102℃;	93%

: 108-24-7
acetic anhydride

: 71-36-3
butan-1-ol

A: 123-86-4
acetic acid butyl ester

B: 431-03-8
dimethylglyoxal

Conditions

Conditions	Yield
With cobalt(II) chloride In acetonitrile at 25℃; for 2h; other primary and secondary alcohols, other temperature;	A 92% B n/a
With cobalt(II) chloride In acetonitrile at 25℃; for 2h;	A 92% B n/a

...Expand

: 109-65-9
1-bromo-butane

: 64-19-7
acetic acid

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 0.666667h;	92%
With tetradecyl(trihexyl)phosphonium bistriflamide; potassium carbonate at 70℃; for 6h;	74%
Stage #1: acetic acid With tetradecyl(trihexyl)phosphonium bistriflimide; potassium carbonate at 70℃; for 0.5h; Stage #2: 1-bromo-butane at 70℃; for 6h;	74%
With ISOPROPYLAMIDE; tetra(n-butyl)ammonium hydroxide at 100℃; for 1h; 1) pH 10 - 12;
With tetraethylammonium tosylate In N,N-dimethyl-formamide Ambient temperature; electrolysis;	60 % Chromat.

: 123-54-6
acetylacetone

: 71-36-3
butan-1-ol

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
With iron(III) chloride; ammonium persulfate In tetrachloromethane; 1,2-dichloro-ethane at 120℃; for 15h;	92%

: 30074-98-7
1-Acetyl-4(1H)-pyridinon

: 71-36-3
butan-1-ol

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 12h;	91%

: 111-34-2
-butyl vinyl ether

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
With oxygen; Pd2060(NO3)360(OAc)360O80; titanium(IV) oxide In N,N-dimethyl acetamide; water at 80℃; for 2h; Wacker oxidation;	91%
With bis-triphenylphosphine-palladium(II) chloride; dihydrogen peroxide; triethylamine In N,N-dimethyl acetamide; water at 60℃; for 1h;	72 %Chromat.
With bis-triphenylphosphine-palladium(II) chloride; dihydrogen peroxide; triethylamine In N,N-dimethyl acetamide; water at 60℃; for 1h; Green chemistry;	72 %Chromat.

: 109-65-9
1-bromo-butane

: 127-09-3
sodium acetate

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
With Aliquat 336 at 120℃;	90%
With polyethylene glycol 400 at 65 - 70℃; for 4h;	90%

: 542-69-8
1-iodo-butane

: 127-09-3
sodium acetate

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
With polyethylene glycol 400 at 65 - 70℃; for 2h;	90%

: 3739-64-8
allyl n-butyl ether

: 75-36-5
acetyl chloride

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
cobalt(II) chloride In acetonitrile for 4h; Ambient temperature;	89%

: 3739-64-8
allyl n-butyl ether

: 75-36-5
acetyl chloride

A: 123-86-4
acetic acid butyl ester

B: 431-03-8
dimethylglyoxal

Conditions

Conditions	Yield
CoCl2 In acetonitrile Ambient temperature; Yields of byproduct given;	A 89% B n/a

...Expand

: 109-69-3
n-Butyl chloride

: 127-09-3
sodium acetate

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
With polyethylene glycol 400 at 65 - 70℃; for 5h;	89%

: 111-34-2
-butyl vinyl ether

: 75-36-5
acetyl chloride

A: 3450-47-3
n-butyl 1-chloroethyl ether

B: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
CoCl2 In acetonitrile Ambient temperature;	A 10% B 85%

...Expand

: 142-96-1
dibutyl ether

: 108-24-7
acetic anhydride

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
FeCl3-Montmorillonite K-10 at 70℃; for 24h;	83%
With thallium(III) nitrate Ambient temperature;	57%
With sulfuric acid

: 588-67-0
benzyl 1-butyl ether

: 75-36-5
acetyl chloride

A: 123-86-4
acetic acid butyl ester

B: 588-46-5
N-(phenylmethyl)acetamide

C: 100-44-7
benzyl chloride

D: 431-03-8
dimethylglyoxal

Conditions

Conditions	Yield
CoCl2 In acetonitrile Ambient temperature; Yields of byproduct given;	A 80% B 21% C 15% D n/a

...Expand

: 111-34-2
-butyl vinyl ether

: 75-36-5
acetyl chloride

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
cobalt(II) chloride In acetonitrile at 0℃; for 1h;	79%

: 103-84-4
Acetanilid

: 71-36-3
butan-1-ol

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
With hydrogenchloride; iron(III) chloride hexahydrate In hexane; water at 80℃; for 14h;	79%

: 628-63-7
1-pentyl acetate

: 71-36-3
butan-1-ol

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
With diethylamine; lithium bromide at 20℃; for 24h; neat (no solvent);	78%
K2CO3 + 5percent Carbowax 6000 at 170℃;	58 % Chromat.

: 1927-68-0
2-butoxytetrahydropyran

: 141-78-6
ethyl acetate

: 123-86-4
acetic acid butyl ester

Conditions

Conditions	Yield
With indium (III) iodide for 14h; Heating;	78%

: 123-86-4
acetic acid butyl ester

: 71071-46-0
4,4'-bis(carbomethoxy)-2,2'-bipyridine

: 773130-04-4
4,4′-bis(2-carboxyvinyl)-2,2'-bipyridine

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; platinum on activated charcoal In tetrahydrofuran at 145℃; under 760.051 Torr; for 36h; Inert atmosphere;	98.5%

: 123-86-4
acetic acid butyl ester

: 100-52-7
benzaldehyde

: 52392-64-0
(E)-3-(phenyl)acrylic acid butyl ester

Conditions

Conditions	Yield
With titanium tetrachloride; triethylamine In dichloromethane at 0 - 25℃; Inert atmosphere; stereoselective reaction;	98%

: 123-86-4
acetic acid butyl ester

: 1859-09-2
ethanol-1,1-d2

Conditions

Conditions	Yield
With lithium aluminium deuteride In diethyl ether	97%
With carbonylhydrido(tetrahydroborato)[bis(2-diphenylphosphinoethyl)amino]ruthenium(II); deuterium In neat (no solvent) at 70℃; under 37503.8 Torr; for 16h; Inert atmosphere; Glovebox;

: 123-86-4
acetic acid butyl ester

: 4766-57-8
tetra(n-butoxy)silane

Conditions

Conditions	Yield
With tetrabutoxytitanium; tetraethoxy orthosilicate Heating;	96%

: 123-86-4
acetic acid butyl ester

: 64-17-5
ethanol

Conditions

Conditions	Yield
With (Ppyz)Zr(BH4)2Cl2 In diethyl ether for 4h; Heating;	95%
With sodium tetrahydroborate; [fac-8-(2-diphenylphosphinoethyl)amidotrihydroquinoline]RuH(PPh3)(CO); hydrogen In tetrahydrofuran at 120℃; under 38002.6 Torr; for 18h; Autoclave; Industrial scale;
With sodium tetrahydroborate; [fac-8-(2-diphenylphosphinoethyl)amidotrihydroquinoline]RuH(PPh)3(CO); hydrogen In tetrahydrofuran at 120℃; under 37503.8 Torr; for 18h; Inert atmosphere; Autoclave;

: 123-86-4
acetic acid butyl ester

A: 507-02-8
acetyl iodide

B: 2754-27-0
trimethylsilyl acetate

Conditions

Conditions	Yield
With trimethylsilyl iodide; iodine In chloroform-d1 at 50℃; for 2h;	A 6% B 94%

: 107-85-7
1-amino-3-methylbutane

: 123-86-4
acetic acid butyl ester

: 13434-12-3
N-isopentylacetamide

Conditions

Conditions	Yield
Stage #1: 1-amino-3-methylbutane With diisobutylaluminium hydride In tetrahydrofuran; toluene Stage #2: acetic acid butyl ester In tetrahydrofuran at 20℃; for 2h;	94%

: 123-86-4
acetic acid butyl ester

: 24911-15-7
4-chloro-N-(1,1-dimethylprop-2-ynyl)benzamide

: 247196-65-2
2-(4-chloro-phenyl)-4,4-dimethyl-5-methylene-4,5-dihydrooxazole

Conditions

Conditions	Yield
copper(I) chloride	94%
copper(I) chloride	94%

concentrated sodium hydroxide: concentrated sodium hydroxide

: 123-86-4
acetic acid butyl ester

: 136564-68-6
(R)-3-methoxy-4-[1-methyl-5-(2-methyl-4,4,4-trifluorobutylcarbamoyl)indol-3-ylmethyl]-N-(2-methylphenylsulphonyl)benzamide

: 4-(5-carboxy-1-methylindol-3-ylmethyl)-3-methoxy-N-(2-methylphenylsulfonyl)benzamide

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; water	94%

...Expand

: 123-86-4
acetic acid butyl ester

: 58107-34-9, 64081-45-4, 33755-86-1
(E)-3-trimethylsilyl-2-propenal

: 128855-24-3
butyl (E)-3-hydroxy-5-(trimethylsilyl)pent-4-enoate

Conditions

Conditions	Yield
Stage #1: acetic acid butyl ester With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 0.5h; Stage #2: (E)-3-trimethylsilyl-2-propenal In tetrahydrofuran; hexane at -78℃; for 0.166667h;	93%
With lithium diisopropyl amide In tetrahydrofuran	77%

: 123-86-4
acetic acid butyl ester

: 33244-86-9
N-(α,α-dimethylpropargyl)-1-benzenecarboxamide

: 4,4-dimethyl-5-methylene-2-phenyl-4,5-dihydrooxazole

Conditions

Conditions	Yield
With silver nitrate	93%
With silver nitrate	93%

: 123-86-4
acetic acid butyl ester

: 100-79-8
(R,S)-2,2-dimethyl-1,3-dioxolane-4-methanol

: 121348-86-5
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl acetate

Conditions

Conditions	Yield
With sodium methylate In methanol at 120℃; for 5h;	92.7%

: 123-86-4
acetic acid butyl ester

: 100-46-9
benzylamine

: 588-46-5
N-(phenylmethyl)acetamide

Conditions

Conditions	Yield
With Candida antarctica lipase B; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate at 60℃; for 24h; Molecular sieve; Ionic liquid; Enzymatic reaction;	92%
Stage #1: benzylamine With diisobutylaluminium hydride In tetrahydrofuran; toluene Stage #2: acetic acid butyl ester In tetrahydrofuran at 20℃; for 2h;	91%
Stage #1: benzylamine With [m-(1,4-diazabicyclo[2.2.2]octanekN1:kN4)]hexamethyldialuminum In tetrahydrofuran at 40℃; for 1h; Stage #2: acetic acid butyl ester In tetrahydrofuran for 18h; Heating;	70%

: 110-94-1
1,5-pentanedioic acid

: 123-86-4
acetic acid butyl ester

A: 6624-57-3
Pentanedioic acid dibutyl ester

B: 93504-86-0
Pentanedioic acid monobutyl ester

Conditions

Conditions	Yield
With Dowex 50W-X2 (50-100 mesh) In octane at 70℃; for 7.33333h;	A 5% B 92%
With Dowex 50Wx2 In octane at 70℃; for 7.33333h; Esterification;	A 5% B 92%

...Expand

: 123-86-4
acetic acid butyl ester

: 84167-74-8
5-bromo-6-methoxy-2-acetylnaphthalene

: 4-(5-bromo-6-methoxy-2-naphthyl)-4-hydroxybut-3-en-2-one

Conditions

Conditions	Yield
With hydrogenchloride; sodium methylate In water	92%
With hydrogenchloride; sodium methylate In water	92%

Butyl acetate Specification

Butyl acetate, also called as Acetic acid, n-butyl ester, is a colourless flammable liquid with medium volatility and a characteristic fruity ester odor. The substance is an organic compound with the formula C₆H₁₂O₂. Butyl acetate has the CAS registry number of 123-86-4 and EINECS registry number of 204-658-1. It is stable but incompatible with strong oxidizing agents, strong acids and strong bases. The substance is toxic to lungs, the nervous system, mucous membranes.

Properties: Butyl acetate has excellent solvency characteristics for polymers, resins, oils and cellulose nitrate and is miscible with all common organic solvents, such as alcohols, ketones, aldehydes, glycols, ethers, glycol ethers and aromatic and aliphatic hydrocarbons. Butyl acetate is relatively difficult to dissolve in water compared with other lower homologue. Butyl acetate is an ester which reacts with acids to liberate heat along with alcohols and acids.

Butyl acetate heated with benzene in the presense of aluminum oxide to generate butylbenzene. Catalyzed by aluminum oxide at the temperature of 300-350 °C, it will generate chlorobutane, iso-butyl chloride and so on. It can also cause reaction of alcoholysis, ammonolysis, interesterification.

Properties computed from structure of Butyl acetate: (1)XLogP3: 1.8; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 4; (5)Exact Mass: 116.08373; (6)MonoIsotopic Mass: 116.08373; (7)Topological Polar Surface Area: 26.3; (8)Heavy Atom Count: 8; (9)Formal Charge: 0; (10)Complexity: 68.9; (11)Covalently-Bonded Unit Count: 1.

Preparation: Butyl acetate is commonly manufactured by acetic acid with the presence of catalytic sulfuric acid under reflux conditions, which can be called as Fischer esterification of a butanol isomer. Add acetic acid, butanol and sulfuric acid into the bottom of esterification reactors to react at the tempreature around 120 °C.

CH₃COOH + CH₃(CH₂)₃OH [H₂SO₄] → CH₃COO(CH₂)₃CH₃

Uses: Butyl acetate can be used in coatings, coatings for plastic, nail care, leather industry and as cosmetic / personal care solvent, fragrance solvent, extraction solvent, pharmaceuticals and cleaners. In addition, it is used as a solvent in the production of lacquers and other products. Butyl acetate is also used as a synthetic fruit flavoring in foods such as candy, ice cream, cheeses, and baked goods. It is also applied to prepare perfume. In pharmaceutical industry, it is used as extractant. Butyl acetate is an azeotrope former with good ability to carry water. It is often used to condense some weak solution to reduce energy consumption.

When you are using Butyl acetate, you should be very cautious about it. It is flammable. And if repeated exposure, it may cause skin dryness or cracking. Moreover, its vapour may cause drowsiness and dizziness. You should avoid contact with eyes.

People can use the following data to convert to the molecule structure of Butyl acetate:
(1)Canonical SMILES: CCCCOC(=O)C
(2)InChI: InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
(3)InChIKey: DKPFZGUDAPQIHT-UHFFFAOYSA-N

Product Name

Butyl acetate

Synthetic route

Butyl acetate Specification

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