1,4-Butanediol,1,4-diacetate supplier

Name
1,4-DIACETOXYBUTANE
EINECS
CAS No. 628-67-1
Article Data76
CAS DataBase
Density 1.039 g/cm³
Solubility 34.94g/L(26 oC)
Melting Point 12-15°C
Formula C₈H₁₄O₄
Boiling Point 227.4 °C at 760 mmHg
Molecular Weight 174.197
Flash Point 105.2 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4-Butanediol,diacetate (6CI,7CI,8CI,9CI);1,4-Butylene glycol diacetate;1,4-Diacetoxybutane;Butylene glycol diacetate;NSC 67924;Tetramethyleneacetate;Tetramethylene diacetate;
PSA 52.60000
LogP 0.89280

Synthetic route

: 108-05-4
vinyl acetate

: 110-63-4
Butane-1,4-diol

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With dilithium tetra(tert-butyl)zincate In toluene at 0℃; for 1h; Inert atmosphere;	100%
With steapsin lipase In hexane at 55℃; for 24h; Enzymatic reaction;	99 %Chromat.

: 51326-51-3
4-(tetrahydropyran-2-yloxy)butan-1-ol

: 108-24-7
acetic anhydride

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With erbium(III) chloride at 50℃; for 0.2h;	99%
cerium triflate In acetonitrile at 20℃; for 4h;	98%
erbium(III) triflate In acetonitrile at 20℃; for 0.5h;

: 108-24-7
acetic anhydride

: 87184-99-4
4-(tert-butyldimethylsiloxy)-1-butanol

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With erbium(III) chloride at 50℃; for 0.2h;	99%
cerium triflate In acetonitrile at 20℃; for 4h;	98%
erbium(III) triflate In acetonitrile at 20℃; for 0.333333h;

: 109-99-9
tetrahydrofuran

: 108-24-7
acetic anhydride

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With sulfuric acid at 20℃; for 20h;	98%
With aminosulfonic acid In acetic acid at 60℃; for 4h;	97%
With zinc(II) chloride at 230℃;

: 110-52-1
1,4-dibromo-butane

: 127-08-2
potassium acetate

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With benzyl tri-n-butylammonium chloride for 5h; Heating;	98%
With ethanol

: 110-63-4
Butane-1,4-diol

: 141-78-6
ethyl acetate

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
iron(III) sulfate; silica gel for 8h; Heating;	98%
With iodine for 2h; Reflux; chemoselective reaction;	97%
With 8Na(1+)12C4H10NO(1-)2HO(1-)*2Nd(3+) In hexane at 60℃; for 16h; Molecular sieve; Inert atmosphere; Schlenk technique;	92%
With aluminum oxide; monoaluminum phosphate at 25℃;	90%
With Novozyme-435 at 20℃; for 24h; Time; Sealed tube; Enzymatic reaction;

: 110-63-4
Butane-1,4-diol

: 108-24-7
acetic anhydride

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With phosphorus pentoxide; silica gel at 20℃;	96%
samarium(III) trifluoromethanesulfonate at 20℃; for 0.25h;	96%
aluminium dodecatungsten phosphate at 20℃; for 0.133333h;	94%

: 110-63-4
Butane-1,4-diol

: 64-19-7
acetic acid

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With sulfonated charcoal In benzene for 5h; Heating;	95%

: 109-99-9
tetrahydrofuran

: 64-19-7
acetic acid

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With lanthanum(lll) triflate at 180℃; under 15001.5 Torr; for 5h; Inert atmosphere;	90.4%
With sulfuric acid; zinc(II) oxide

: 110-52-1
1,4-dibromo-butane

: 64-19-7
acetic acid

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 1h;	90%

: 69814-56-8
2-methylene-1,3-dioxepane

: 64-19-7
acetic acid

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 4h; Acetylation;	88.9%

: 88-14-2
2-furanoic acid

: 64-19-7
acetic acid

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen; lanthanum(lll) triflate at 180℃; under 15001.5 Torr; for 5h;	83.2%
With palladium 10% on activated carbon; hydrogen; lanthanum(lll) triflate at 180℃; under 19001.3 Torr; for 5h; Reagent/catalyst; Temperature; Pressure; Time; Autoclave;	68.1%

: 88-14-2
2-furanoic acid

: 64-19-7
acetic acid

A: 109-99-9
tetrahydrofuran

B: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen; lanthanum(lll) triflate at 180℃; under 15001.5 Torr; for 5h; Autoclave;	A 6% B 83%

...Expand

: 75-36-5
acetyl chloride

: 82046-44-4
2-ethyl-1,2-oxaalumane

A: 628-67-1
butane-1,4-diol diacetate

B: 141-78-6
ethyl acetate

Conditions

Conditions	Yield
With oxygen 1.) benzene, 2.) CH2Cl2, 20 deg C, 30 min; 35-40 deg C, 1 h; Yield given. Multistep reaction;	A n/a B 82%

...Expand

: 110-63-4
Butane-1,4-diol

: 141-78-6
ethyl acetate

A: 35435-68-8
4-acetoxy-1-butanol

B: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
sodium hydrogen sulfate In hexane at 50℃; for 6h; Product distribution; other catalysts, other reaction time;	A 81% B 5%

...Expand

: 64-19-7
acetic acid

: 110-56-5
1,4-dichlorobutane

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 1h;	81%

: 6962-92-1
4-Chlorobutyl acetate

: 127-08-2
potassium acetate

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With polyethylene glycol 400 at 100 - 110℃; for 8h;	78%
at 170℃;

: 15057-13-3
C14H26O4

: 141-78-6
ethyl acetate

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With indium (III) iodide for 15h; Heating;	78%

: 88-14-2
2-furanoic acid

: 64-19-7
acetic acid

A: 123-86-4
acetic acid butyl ester

B: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen; lanthanum(lll) triflate at 190℃; under 15001.5 Torr; for 5h; Catalytic behavior; Reagent/catalyst; Pressure; Temperature;	A 6.8% B 77.8%

...Expand

: 16874-33-2
tetrahydro-2-furancarboxylic acid

: 64-19-7
acetic acid

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen; lanthanum(lll) triflate at 180℃; under 15001.5 Torr; for 5h;	76.4%
With palladium 10% on activated carbon; hydrogen; lanthanum(lll) triflate at 170℃; under 11400.8 Torr; for 6h; Autoclave;	60.3%

: 109-99-9
tetrahydrofuran

: 108-24-7
acetic anhydride

A: 628-67-1
butane-1,4-diol diacetate

B: 928-88-1
4-(4-acetoxybutoxy)butyl acetate

C: 3216-77-1
1,4-Bis-(4-acetoxy-butyloxy)-butan

Conditions

Conditions	Yield
With ytterbium(III) triflate at 75 - 80℃; for 1h;	A n/a B 69% C n/a

...Expand

: 108-24-7
acetic anhydride

poly(tetrahydrofuran): poly(tetrahydrofuran)

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With zinc(II) triflate at 150℃; for 24h;	59%

: 110-63-4
Butane-1,4-diol

: 75-36-5
acetyl chloride

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With pyridine at 0℃; for 3h;	26%

: 109-99-9
tetrahydrofuran

: 108-24-7
acetic anhydride

: 5435-44-9, 22243-66-9
(E)-3-Ureido-but-2-enoic acid ethyl ester

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
at 230℃;

...Expand

: 109-99-9
tetrahydrofuran

: 108-24-7
acetic anhydride

A: 628-67-1
butane-1,4-diol diacetate

B: 928-88-1
4-(4-acetoxybutoxy)butyl acetate

Conditions

Conditions	Yield
With diethyl ether; boron trifluoride

...Expand

: 628-21-7
1,4-Diiodobutane

: 563-63-3
silver(I) acetate

: 628-67-1
butane-1,4-diol diacetate

: 1573-17-7
2-butyn-1,4-diol diacetate

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With ethanol; palladium Hydrogenation;

: 110-63-4
Butane-1,4-diol

: 60-29-7
diethyl ether

: 562-90-3
tetraacetoxysilane

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
Erhitzen des Reaktionsprodukts;

...Expand

: 15910-11-9
1,4-diacetoxy 1,3-butadiene

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol

: 7733-79-1
2,2-dimethyl-1,3,2-dioxasilacycloheptane

: 75-36-5
acetyl chloride

: 628-67-1
butane-1,4-diol diacetate

: 628-67-1
butane-1,4-diol diacetate

: 35435-68-8
4-acetoxy-1-butanol

Conditions

Conditions	Yield
With HY-Zeolite In methanol for 5h; Heating;	97%
With sodium hydroxide; phosphate buffer In water for 18h; pH 6.9;	95%
1,3-disubstituted tetraalkyldistannoxane (X = Y = Cl) In methanol; chloroform for 48h; Ambient temperature; Yield given;

: 35435-68-8
4-acetoxy-1-butanol

: 628-67-1
butane-1,4-diol diacetate

: 907624-85-5
acetic acid 4-nitryloxybutyl ester

Conditions

Conditions	Yield
With sulfuric acid; nitric acid In dichloromethane; water at 25℃;	93%

: 628-67-1
butane-1,4-diol diacetate

: 110-63-4
Butane-1,4-diol

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 2h; Reflux;	60%
With hydrogenchloride; methanol; ethanol

: 108-05-4
vinyl acetate

: 110-63-4
Butane-1,4-diol

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With dilithium tetra(tert-butyl)zincate In toluene at 0℃; for 1h; Inert atmosphere;	100%
With steapsin lipase In hexane at 55℃; for 24h; Enzymatic reaction;	99 %Chromat.

: 51326-51-3
4-(tetrahydropyran-2-yloxy)butan-1-ol

: 108-24-7
acetic anhydride

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With erbium(III) chloride at 50℃; for 0.2h;	99%
cerium triflate In acetonitrile at 20℃; for 4h;	98%
erbium(III) triflate In acetonitrile at 20℃; for 0.5h;

: 108-24-7
acetic anhydride

: 87184-99-4
4-(tert-butyldimethylsiloxy)-1-butanol

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With erbium(III) chloride at 50℃; for 0.2h;	99%
cerium triflate In acetonitrile at 20℃; for 4h;	98%
erbium(III) triflate In acetonitrile at 20℃; for 0.333333h;

: 109-99-9
tetrahydrofuran

: 108-24-7
acetic anhydride

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With sulfuric acid at 20℃; for 20h;	98%
With aminosulfonic acid In acetic acid at 60℃; for 4h;	97%
With zinc(II) chloride at 230℃;

: 110-52-1
1,4-dibromo-butane

: 127-08-2
potassium acetate

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With benzyl tri-n-butylammonium chloride for 5h; Heating;	98%
With ethanol

: 110-63-4
Butane-1,4-diol

: 141-78-6
ethyl acetate

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
iron(III) sulfate; silica gel for 8h; Heating;	98%
With iodine for 2h; Reflux; chemoselective reaction;	97%
With 8Na(1+)12C4H10NO(1-)2HO(1-)*2Nd(3+) In hexane at 60℃; for 16h; Molecular sieve; Inert atmosphere; Schlenk technique;	92%
With aluminum oxide; monoaluminum phosphate at 25℃;	90%
With Novozyme-435 at 20℃; for 24h; Time; Sealed tube; Enzymatic reaction;

: 110-63-4
Butane-1,4-diol

: 108-24-7
acetic anhydride

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With phosphorus pentoxide; silica gel at 20℃;	96%
samarium(III) trifluoromethanesulfonate at 20℃; for 0.25h;	96%
aluminium dodecatungsten phosphate at 20℃; for 0.133333h;	94%

: 110-63-4
Butane-1,4-diol

: 64-19-7
acetic acid

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With sulfonated charcoal In benzene for 5h; Heating;	95%

: 109-99-9
tetrahydrofuran

: 64-19-7
acetic acid

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With lanthanum(lll) triflate at 180℃; under 15001.5 Torr; for 5h; Inert atmosphere;	90.4%
With sulfuric acid; zinc(II) oxide

: 110-52-1
1,4-dibromo-butane

: 64-19-7
acetic acid

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 1h;	90%

: 69814-56-8
2-methylene-1,3-dioxepane

: 64-19-7
acetic acid

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 4h; Acetylation;	88.9%

: 88-14-2
2-furanoic acid

: 64-19-7
acetic acid

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen; lanthanum(lll) triflate at 180℃; under 15001.5 Torr; for 5h;	83.2%
With palladium 10% on activated carbon; hydrogen; lanthanum(lll) triflate at 180℃; under 19001.3 Torr; for 5h; Reagent/catalyst; Temperature; Pressure; Time; Autoclave;	68.1%

: 88-14-2
2-furanoic acid

: 64-19-7
acetic acid

A: 109-99-9
tetrahydrofuran

B: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen; lanthanum(lll) triflate at 180℃; under 15001.5 Torr; for 5h; Autoclave;	A 6% B 83%

...Expand

: 75-36-5
acetyl chloride

: 82046-44-4
2-ethyl-1,2-oxaalumane

A: 628-67-1
butane-1,4-diol diacetate

B: 141-78-6
ethyl acetate

Conditions

Conditions	Yield
With oxygen 1.) benzene, 2.) CH2Cl2, 20 deg C, 30 min; 35-40 deg C, 1 h; Yield given. Multistep reaction;	A n/a B 82%

...Expand

: 110-63-4
Butane-1,4-diol

: 141-78-6
ethyl acetate

A: 35435-68-8
4-acetoxy-1-butanol

B: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
sodium hydrogen sulfate In hexane at 50℃; for 6h; Product distribution; other catalysts, other reaction time;	A 81% B 5%

...Expand

: 64-19-7
acetic acid

: 110-56-5
1,4-dichlorobutane

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 1h;	81%

: 6962-92-1
4-Chlorobutyl acetate

: 127-08-2
potassium acetate

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With polyethylene glycol 400 at 100 - 110℃; for 8h;	78%
at 170℃;

: 15057-13-3
C14H26O4

: 141-78-6
ethyl acetate

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With indium (III) iodide for 15h; Heating;	78%

: 88-14-2
2-furanoic acid

: 64-19-7
acetic acid

A: 123-86-4
acetic acid butyl ester

B: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen; lanthanum(lll) triflate at 190℃; under 15001.5 Torr; for 5h; Catalytic behavior; Reagent/catalyst; Pressure; Temperature;	A 6.8% B 77.8%

...Expand

: 16874-33-2
tetrahydro-2-furancarboxylic acid

: 64-19-7
acetic acid

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With palladium on activated charcoal; hydrogen; lanthanum(lll) triflate at 180℃; under 15001.5 Torr; for 5h;	76.4%
With palladium 10% on activated carbon; hydrogen; lanthanum(lll) triflate at 170℃; under 11400.8 Torr; for 6h; Autoclave;	60.3%

: 109-99-9
tetrahydrofuran

: 108-24-7
acetic anhydride

A: 628-67-1
butane-1,4-diol diacetate

B: 928-88-1
4-(4-acetoxybutoxy)butyl acetate

C: 3216-77-1
1,4-Bis-(4-acetoxy-butyloxy)-butan

Conditions

Conditions	Yield
With ytterbium(III) triflate at 75 - 80℃; for 1h;	A n/a B 69% C n/a

...Expand

: 108-24-7
acetic anhydride

poly(tetrahydrofuran): poly(tetrahydrofuran)

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With zinc(II) triflate at 150℃; for 24h;	59%

: 110-63-4
Butane-1,4-diol

: 75-36-5
acetyl chloride

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With pyridine at 0℃; for 3h;	26%

: 109-99-9
tetrahydrofuran

: 108-24-7
acetic anhydride

: 5435-44-9, 22243-66-9
(E)-3-Ureido-but-2-enoic acid ethyl ester

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
at 230℃;

...Expand

: 109-99-9
tetrahydrofuran

: 108-24-7
acetic anhydride

A: 628-67-1
butane-1,4-diol diacetate

B: 928-88-1
4-(4-acetoxybutoxy)butyl acetate

Conditions

Conditions	Yield
With diethyl ether; boron trifluoride

...Expand

: 628-21-7
1,4-Diiodobutane

: 563-63-3
silver(I) acetate

: 628-67-1
butane-1,4-diol diacetate

: 1573-17-7
2-butyn-1,4-diol diacetate

: 628-67-1
butane-1,4-diol diacetate

Conditions

Conditions	Yield
With ethanol; palladium Hydrogenation;

1,4-Butanediol,1,4-diacetate Specification

The 1,4-Butanediol,1,4-diacetate, with CAS registry number 628-67-1, has the systematic name of butane-1,4-diyl diacetate. Besides this, it is also called 4-(Acetyloxy)butyl acetate. And the chemical formula of this chemical is C₈H₁₄O₄. When use this chemical, please avoid contact with skin and eyes.

Physical properties of 1,4-Butanediol,1,4-diacetate: (1)ACD/LogP: 0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 0.96; (5)ACD/BCF (pH 5.5): 3.18; (6)ACD/BCF (pH 7.4): 3.18; (7)ACD/KOC (pH 5.5): 79.66; (8)ACD/KOC (pH 7.4): 79.66; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 42.66 cm³; (15)Molar Volume: 167.5 cm³; (16)Polarizability: 16.91×10^-24cm³; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 1.039 g/cm³; (19)Flash Point: 105.2 °C; (20)Enthalpy of Vaporization: 46.4 kJ/mol; (21)Boiling Point: 227.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0777 mmHg at 25°C.

Preparation: this chemical can be prepared by tetrahydrofuran and acetic acid anhydride. This reaction will need reagent HCl and solvent acetic acid.

1,4-Butanediol,1,4-diacetate can be prepared by tetrahydrofuran and acetic acid anhydride

Uses of 1,4-Butanediol,1,4-diacetate: it can be used to produce acetic acid-(4-hydroxy-butyl ester). This reaction will need solvents methanol, CHCl₃. The reaction time is 48 hour(s).

Uses of 1,4-Butanediol,1,4-diacetate: it can be used to produce acetic acid-(4-hydroxy-butyl ester).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCOC(=O)C)C
(2)InChI: InChI=1/C8H14O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H2,1-2H3
(3)InChIKey: XUKSWKGOQKREON-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H14O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-6H2,1-2H3
(5)Std. InChIKey: XUKSWKGOQKREON-UHFFFAOYSA-N

Product Name

1,4-DIACETOXYBUTANE

Synthetic route

1,4-Butanediol,1,4-diacetate Specification

Related Products

Hot Products