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112-34-5

Basic Information
CAS No.: 112-34-5
Name: Ethanol,2-(2-butoxyethoxy)-
Article Data: 25
Cas Database
Molecular Structure:
Molecular Structure of 112-34-5 (Ethanol,2-(2-butoxyethoxy)-)
Formula: C8H18O3
Molecular Weight: 162.229
Synonyms: 2-(2-Butoxyethoxy)ethanol;2-(2-n-Butoxyethoxy)ethanol;3,6-Dioxa-1-decanol;BDG;BDG-NS;BDGE 20;BikanolB 2;Butadigol;Butoxyethoxyethanol;Butycenol 20P;Butyl Carbitol;ButylDiglysolv;Butyl Oxitol glycol ether;Butyl digol;Diethylene glycol butylether;Diethylene glycol mono-n-butyl ether;Diethylene glycol monobutyl ether;Ethanol, 2,2'-oxybis-, monobutyl ether;
EINECS: 203-961-6
Density: 0.949 g/cm3
Melting Point: -68 °C(lit.)
Boiling Point: 230.4 °C at 760 mmHg
Flash Point: 100 °C
Solubility: soluble
Appearance: colourless liquid
Hazard Symbols: IrritantXi
Risk Codes: 36
Safety: 24-26
Transport Information: N/A
PSA: 38.69000
LogP: 0.81200
Synthetic route
75-21-8

oxirane

71-36-3

butan-1-ol

A

111-76-2

2-Butoxyethanol

B

112-34-5

Diethylene glycol monobutyl ether

Conditions
ConditionsYield
With potassium aluminum sulfate at 170℃; for 24h; Reagent/catalyst; Autoclave;A 93.1%
B 6.63%
109-69-3

n-Butyl chloride

111-46-6

diethylene glycol

112-34-5

Diethylene glycol monobutyl ether

Conditions
ConditionsYield
With sodium hydroxide; water at 100℃; for 24h;70%
75-21-8

oxirane

71-36-3

butan-1-ol

112-34-5

Diethylene glycol monobutyl ether

Conditions
ConditionsYield
With boron trifluoride diethyl etherate at 50℃;
71-36-3

butan-1-ol

111-46-6

diethylene glycol

112-34-5

Diethylene glycol monobutyl ether

Conditions
ConditionsYield
sulfuric acid In toluene Heating;
109-65-9

1-bromo-butane

sodium diethylene glycolate

sodium diethylene glycolate

112-34-5

Diethylene glycol monobutyl ether

Conditions
ConditionsYield
With diethylene glycol
75-21-8

oxirane

71-36-3

butan-1-ol

A

111-76-2

2-Butoxyethanol

B

112-34-5

Diethylene glycol monobutyl ether

C

143-22-6

triethyleneglycol monobutyl ether

Conditions
ConditionsYield
2,4,6-trimethyl-pyridine at 160℃; under 2311.54 - 3345.86 Torr; for 2.5h; Product distribution / selectivity; Inert atmosphere;
sodium butanolate at 140℃; under 7500.75 Torr; for 5h; Product distribution / selectivity;A 20.16 %Chromat.
B 9.07 %Chromat.
C 6.10 %Chromat.
catalyst of invention (Sb2O3, copper acetate, hydrogen peroxide; calcined) at 140℃; under 30003 Torr; for 24 - 120h; Product distribution / selectivity;A 76 - 77 %Chromat.
B 13 - 14 %Chromat.
C 9 %Chromat.
129-00-0

pyrene

A

85-44-9

phthalic anhydride

B

90-47-1

xanth-9-one

C

629-62-9

pentadecane

D

629-97-0

n-docosane

E

630-01-3

n-hexacosane

F

629-59-4

tetradecane

G

544-76-3

Hexadecane

H

112-34-5

Diethylene glycol monobutyl ether

I

97-87-0

n-butyl isobutyrate

J

629-94-7

heneicosane

K

638-67-5

n-tricosane

L

646-31-1

tetracosane

M

629-99-2

n-pentacosane

N

203-63-4

cyclopenta[def]phenanthrene

O

1,2-benzenedicarboxylic acid diisooctyl ether

P

128-37-0

2,6-di-tert-butyl-4-methyl-phenol

Q

84-66-2

Diethyl phthalate

R

84-74-2

Phthalic acid dibutyl ester

S

203-64-5

4H-Cyclopenta[def]phenanthrene

T

85-68-7

benzyl n-butyl phthalate

U

4371-26-0

1,1'-Biphenyl-2,2',6,6'-tetracarboxaldehyde

V

16162-34-8

4,5-phenanthrene-8,9-dicarbaldehyde

W

57-10-3

1-hexadecylcarboxylic acid

X

6-propyltridecane

Conditions
ConditionsYield
With oxygen; ozone In water for 0.25 - 2h;
112-60-7

Tetraethylene glycol

107-21-1

ethylene glycol

123-72-8

butyraldehyde

111-46-6

diethylene glycol

112-27-6

2,2'-[1,2-ethanediylbis(oxy)]bisethanol

A

3390-13-4

2-propyl-1,3-dioxolane

B

111-76-2

2-Butoxyethanol

C

112-34-5

Diethylene glycol monobutyl ether

D

143-22-6

triethyleneglycol monobutyl ether

E

1559-34-8

tetraethylene glycol monobutyl ether

F

71-36-3

butan-1-ol

Conditions
ConditionsYield
With hydrogen; palladium 10% on activated carbon at 180℃; under 51716.2 Torr; for 2h;
123-72-8

butyraldehyde

111-46-6

diethylene glycol

112-34-5

Diethylene glycol monobutyl ether

Conditions
ConditionsYield
With hydrogen; palladium 10% on activated carbon at 200℃; under 51716.2 Torr; for 2h; Inert atmosphere;94.5 %Chromat.
With palladium 10% on activated carbon; hydrogen at 200℃; under 51755.2 Torr; for 2h;94.5 %Chromat.
112-34-5

Diethylene glycol monobutyl ether

98-59-9

p-toluenesulfonyl chloride

50964-16-4

diethylene glycol monobutyl ether tosylate

Conditions
ConditionsYield
Stage #1: Diethylene glycol monobutyl ether; p-toluenesulfonyl chloride With dmap In dichloromethane at 20℃;
Stage #2: With triethylamine In dichloromethane at 20℃;
100%
With sodium hydroxide In tetrahydrofuran; water at 0℃; for 2h;85%
With pyridine In dichloromethane at 20℃; for 3h;57%
With pyridine
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  • Ethanol,2-(2-butoxyethoxy)-,112-34-5

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  • Butyldiglycol

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Consensus Reports

DIETHYLENE GLYCOL MONOBUTYL ETHER is reported in EPA TSCA Inventory. Glycol ether compounds are on the Community Right-To-Know List.

Standards and Recommendations

DFG MAK: 100 mg/m3

Specification

The Diethylene glycol monobutyl ether with CAS registry number of 112-34-5 is also called Ethanol,2-(2-butoxyethoxy)-. The IUPAC name is 2-(2-butoxyethoxy)ethanol. Its EINECS registry number is 203-961-6. In addition, the molecular formula is C8H18O3 and the molecular weight is 162.23. It is a kind of colourless liquid with a mild odour and belongs to the classes of Ethylene Glycols Monofunctional Ethylene Glycols and Monofunctional Ethylene Glycols. And it is stable and incompatible with strong oxidizing agents and strong bases.

Physical properties about this chemical are: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.44; (5)ACD/BCF (pH 5.5): 1.27; (6)ACD/BCF (pH 7.4): 1.27; (7)ACD/KOC (pH 5.5): 41.26; (8)ACD/KOC (pH 7.4): 41.26; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 38.69 Å2; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 44.13 cm3; (15)Molar Volume: 170.8 cm3; (16)Polarizability: 17.49 ×10-24cm3; (17)Surface Tension: 32 dyne/cm; (18)Density: 0.949 g/cm3; (19)Flash Point: 100 °C; (20)Enthalpy of Vaporization: 54.29 kJ/mol; (21)Boiling Point: 230.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0126 mmHg at 25°C.

Preparation of Diethylene glycol monobutyl ether: it can be prepared by butanol and ethyl ether boron trifluoride. This reaction will need reagent epoxyethane. The reaction time is 2-3 hours at reaction temperature of 75-80 °C. After the reaction, use butanol sodium to make pH into 8, then put it into the distillation tower for distillation.

Diethylene glycol monobutyl ether can be prepared by butanol and ethyl ether boron trifluoride

Uses of Diethylene glycol monobutyl ether: it can be used as solvent of nitrocellulose, varnish, printing ink, the oil ans the resin. It also can be used for adhesive thinner and emulsioni paint stabilizer. In addition, it can react with (2-methoxy-phenoxy)-acetyl chloride to get Butoxyethoxyethyl o-methoxyphenoxyacetate. This reaction will need reagent CHCl3. The reaction time is 21 hours by heating. The yield is about 69.01%.

Diethylene glycol monobutyl ether can react with (2-methoxy-phenoxy)-acetyl chloride to get Butoxyethoxyethyl o-methoxyphenoxyacetate

When you are using this chemical, please be cautious about it as the following:
It is irritating to the eyes. during using it, avoid contact with skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES:CCCCOCCOCCO
(2)InChI:InChI=1/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3
(3)InChIKey:OAYXUHPQHDHDDZ-UHFFFAOYAO

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 2gm/kg (2000mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

GASTROINTESTINAL: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.
mouse LD50 intraperitoneal 850mg/kg (850mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"

BLOOD: CHANGES IN SPLEEN
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 6, Pg. 342, 1947.
mouse LD50 oral 2400mg/kg (2400mg/kg)   Journal of the American College of Toxicology. Vol. 12, Pg. 139, 1993.
mouse LD50 unreported 6050mg/kg (6050mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(2), Pg. 14, 1981.
rabbit LD50 oral 2200mg/kg (2200mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 3964, 1982.
rabbit LD50 skin 2700mg/kg (2700mg/kg)   Journal of the American College of Toxicology. Vol. 12, Pg. 139, 1993.
rat LD50 oral 5660mg/kg (5660mg/kg)   Dow Chemical Company Reports. Vol. MSD-41,
rat LD50 unreported 4500mg/kg (4500mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(2), Pg. 14, 1981.

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