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111-77-3

Basic Information
CAS No.: 111-77-3
Name: Ethanol,2-(2-methoxyethoxy)-
Molecular Structure:
Molecular Structure of 111-77-3 (Ethanol,2-(2-methoxyethoxy)-)
Formula: C5H12O3
Molecular Weight: 120.17
Synonyms: 2-(2-Methoxyethoxy)ethan-1-ol;2-(2'-Methoxyethoxy)ethanol;2-Hydroxyethyl2-methoxyethyl ether;3,6-Dioxa-1-heptanol;Bikanol M 2;Diethylene glycolmethyl ether;Diethylene glycol monomethyl ether;Diglycol monomethyl ether;Dowanol DM;Ektasolve DM;Ethanol, 2,2'-oxybis-, monomethyl ether;Hicotol CAR;Hisolve DM;M 0537;MDG;Methyl Carbitol;Methyl Dioxitol;Methyl digol;Methyldiethylene glycol;NSC 2261;Poly-Solv DM;b-Methoxy-b'-hydroxydiethylether;Diethylene Glycol Monomethyl Ether(DM);
EINECS: 203-906-6
Density: 0.99 g/cm3
Melting Point: -70 °C(lit.)
Boiling Point: 194.1 °C at 760 mmHg
Flash Point: 83.9 °C
Solubility: Miscible
Appearance: colorless liquid
Hazard Symbols: HarmfulXn
Risk Codes: 63
Safety: 36/37
Transport Information:
PSA: 38.69000
LogP: -0.35830
Synthetic route
115319-74-9

4-hydroxybenzyl 2-(2-methoxyethoxy)ethyl ether

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

Conditions
ConditionsYield
With iron(III) chloride Product distribution / selectivity;97%
112-35-6

triethylene glucol monomethyl ether

A

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

B

111-96-6

diethylene glycol dimethyl ether

Conditions
ConditionsYield
nickel; rhodium; palladium at 220℃; Product distribution / selectivity;A 10%
B 68%
5%-palladium/activated carbon; nickel at 220℃; Product distribution / selectivity;A 5%
B 67%
rhenium; nickel; palladium at 220℃; Product distribution / selectivity;A 16%
B 63%
222634-34-6

ethyl 2-(1-(1-imidazolylcarbonyloxy)-2-methylpropyl)-5-(4,5-dimethoxy-2-nitrobenzoyl)-2H-1,2,3-triazole-4-carboxylate

A

222634-37-9

ethyl 2-(1-(2-(2-methoxyethoxy) ethoxycarbonyloxy)-2-methylpropyl)-5-(4,5-dimethoxy-2-nitrobenzoyl)-2H-1,2,3-triazole-4-carboxylate

B

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

Conditions
ConditionsYield
A 52%
B n/a
75-21-8

oxirane

67-56-1

methanol

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

Conditions
ConditionsYield
unter Druck;
With potassium hydroxide unter Druck;
unter Druck;
With potassium hydroxide unter Druck;

(2-methoxy-ethyl)-(2-sulfooxy-ethyl)-ether

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

Conditions
ConditionsYield
With sulfuric acid at 32.5℃; Equilibrium constant;
90-15-3

α-naphthol

67834-62-2

OO-tert-butyl methoxyethoxyethyl monoperoxycarbonate

A

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

B

2-tert-Butoxy-naphthalen-1-ol

C

Carbonic acid 1-hydroxy-naphthalen-2-yl ester 2-(2-methoxy-ethoxy)-ethyl ester

D

75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
In various solvent(s) at 120℃; for 6h; Further byproducts given;
50586-80-6

toluene-4-sulfonic acid 2-(2-methoxyethoxy)ethyl ester

A

123-91-1

1,4-dioxane

B

67-56-1

methanol

C

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

Conditions
ConditionsYield
With ethanol; thiourea at 85℃; Rate constant; Mechanism; other 1,1-d2 substituted tosylates; other reagents, var. temp.;
81194-70-9

C23H32O6

A

119-61-9

benzophenone

B

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane; water at 30℃; Rate constant; Kinetics; Thermodynamic data; ΔH(excit.), ΔS(excit.), var. temp.;
67834-62-2

OO-tert-butyl methoxyethoxyethyl monoperoxycarbonate

A

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

B

34557-54-5

methane

C

1889-67-4

dicumene

D

67-64-1

acetone

E

75-65-0

tert-butyl alcohol

Conditions
ConditionsYield
With Isopropylbenzene at 130℃; for 42h; Product distribution; Kinetics; Rate constant; other temperature; other solvent; other time; in the presence of styrene; E(excit.);A 1.98 g
B 0.07 g
C 1.95 g
D 0.24 g
E 2.24 g
40835-42-5

bis(methoxyethoxyethyl) peroxydicarbonate

A

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

B

111-96-6

diethylene glycol dimethyl ether

C

124-38-9

carbon dioxide

D

141-46-8

Glycolaldehyde

E

Carbonic acid 2-hydroxy-1-(2-methoxy-ethoxy)-ethyl ester 2-(2-methoxy-ethoxy)-ethyl ester

Conditions
ConditionsYield
In benzene at 60℃; Rate constant; Kinetics; Mechanism; var. temp., also with inhibiting addition of styrene or α-naphthol, Eact; other peroxydicarbonates;
ethylidene-bis-

ethylidene-bis-

A

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

B

1002-67-1

diethylene glycol ethyl methyl ether

Conditions
ConditionsYield
With nickel at 170 - 210℃; Hydrogenation.unter Druck;
66854-10-2

1,1-bis-[2-(2-methoxy-ethoxy)-ethoxy]-ethane

Raney nickel

Raney nickel

A

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

B

1002-67-1

diethylene glycol ethyl methyl ether

Conditions
ConditionsYield
at 170 - 210℃; under 51485.6 Torr; Hydrogenation;
75-21-8

oxirane

67-56-1

methanol

A

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

B

2-methoxy-ethanol;O-methyl-triethylene glycol

2-methoxy-ethanol;O-methyl-triethylene glycol

Conditions
ConditionsYield
With sodium methylate
90-15-3

α-naphthol

67834-62-2

OO-tert-butyl methoxyethoxyethyl monoperoxycarbonate

A

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

B

34557-54-5

methane

C

2-tert-Butoxy-naphthalen-1-ol

D

67-64-1

acetone

E

Carbonic acid 1-hydroxy-naphthalen-2-yl ester 2-(2-methoxy-ethoxy)-ethyl ester

F

75-65-0

tert-butyl alcohol

G

CO2, bicumyl

CO2, bicumyl

Conditions
ConditionsYield
In various solvent(s) at 120℃; for 6h; Rate constant; Product distribution; decomposition with variation of additives and solvents;
13752-97-1

3-<2-(2-Methoxyethoxy)ethoxy>propen

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

Conditions
ConditionsYield
With samarium diiodide; water; isopropylamine In tetrahydrofuran at 20℃; for 0.0166667h;
67-56-1

methanol

111-46-6

diethylene glycol

A

123-91-1

1,4-dioxane

B

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

C

111-96-6

diethylene glycol dimethyl ether

Conditions
ConditionsYield
With NAFION 1100 EW Polymer (H+ form) at 198 - 200℃; under 41890.1 Torr; for 5h;
111-96-6

diethylene glycol dimethyl ether

A

67-56-1

methanol

B

50-00-0

formaldehyd

C

110-71-4

1,2-dimethoxyethane

D

107-25-5

methoxyethene

E

5137-45-1

1-methoxy-2-ethoxyethane

F

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

G

34557-54-5

methane

H

115-10-6

Dimethyl ether

I

540-67-0

ethyl methyl ether

J

109-86-4

2-methoxy-ethanol

K

1663-35-0

2-methoxyethyl vinyl ether

Conditions
ConditionsYield
at 163℃; Irradiation; Inert atmosphere;
109-86-4

2-methoxy-ethanol

107-07-3

2-chloro-ethanol

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

Conditions
ConditionsYield
Stage #1: 2-methoxy-ethanol With sodium hydride In tetrahydrofuran; mineral oil for 1h; Inert atmosphere; Cooling with ice;
Stage #2: 2-chloro-ethanol In tetrahydrofuran; mineral oil at 20℃; for 1h; Inert atmosphere; Cooling with ice;
3.12 g
111-96-6

diethylene glycol dimethyl ether

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

Conditions
ConditionsYield
With hydrogenchloride at 60 - 80℃;

C6H12O4

A

64-18-6

formic acid

B

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

Conditions
ConditionsYield
With water at 80℃; for 24h; Equilibrium constant; Sealed tube;
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

124-63-0

methanesulfonyl chloride

60696-83-5

methanesulfonic acid 2-(2-methoxyethoxy)ethyl ester

Conditions
ConditionsYield
With triethylamine In diethyl ether for 0.5h;100%
With triethylamine In diethyl ether97%
With triethylamine In dichloromethane at 20℃; for 3h; Cooling with ice;94%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

98-59-9

p-toluenesulfonyl chloride

50586-80-6

toluene-4-sulfonic acid 2-(2-methoxyethoxy)ethyl ester

Conditions
ConditionsYield
With pyridine at 0 - 20℃; for 2h;100%
Stage #1: 2-(2-methoxyethoxy)ethyl alcohol; 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 20℃; Cooling with ice;99%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

75194-94-4

3,3,7,7-tetramethyl-2,8-dioxa-5-aza-1λ3-phosphabicyclo(3,3,0)octane

8-[2-(2-methoxy-ethoxy)-ethoxy]-2,2,6,6-tetramethyl-tetrahydro-8λ5-[1,3,2]oxazaphospholo[2,3-b][1,3,2]oxazaphosphole

Conditions
ConditionsYield
In acetonitrile Addition;100%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

C10H23O7P

Conditions
ConditionsYield
With pyridine; phosphorus trichloride In diethyl ether at 20℃; for 16h; Cooling with ice;100%
With phosphorus trichloride In benzene for 2h; Heating;80%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

193002-25-4

7-hydroxy-6-methoxy-3-pivaloyloxymethyl-3,4-dihydroquinazolin-4-one

199328-77-3

6-methoxy-7-(2-(2-methoxyethoxy)ethoxy)-3-((pivaloyloxy)methyl)-3,4-dihydroquinazolin-4-one

Conditions
ConditionsYield
With triphenylphosphine; diethylazodicarboxylate In dichloromethane at 0 - 20℃; for 1.5h;100%
7098-07-9

N-Ethylimidazole

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

77-78-1

dimethyl sulfate

1-ethyl-3-methylimidazolium diethyleneglycolmonomethylether sulfate

Conditions
ConditionsYield
Stage #1: N-Ethylimidazole; dimethyl sulfate at 0 - 20℃;
Stage #2: 2-(2-methoxyethoxy)ethyl alcohol at 160℃; for 5h;
100%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

618-83-7

5-Hydroxyisophthalic acid

C18H26O9

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene for 72h; Reflux; Dean-Stark;100%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

15761-38-3

L-N-Boc-Ala

2-(2-methoxyethoxy)ethyl (2S)-2-(tert-butoxycarbonylamino)propanoate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In toluene at 20℃; Inert atmosphere;100%

N-(tert-butoxy)-L-alanine

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

2-(2-methoxyethoxy)ethyl (2S)-2-(tert-butoxycarbonylamino)propanoate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide at 20℃; Inert atmosphere;100%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

98-59-9

p-toluenesulfonyl chloride

17178-10-8

2-methoxy-ethyl p-toluenesulfonyloxy ester

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 18h; Inert atmosphere;100%
74-87-3

methylene chloride

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

110-71-4

1,2-dimethoxyethane

Conditions
ConditionsYield
With sodium hydroxide In water at 60℃;99.8%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

98-59-9

p-toluenesulfonyl chloride

89346-82-7

2-<2-<2-<2-(benzyloxy)ethoxy>ethoxy>ethoxy>ethyl 4-methylbenzenesulfonate

Conditions
ConditionsYield
With sodium hydroxide In tetrahydrofuran; water at 20℃; for 15h; Cooling with ice;99.6%
75-44-5

phosgene

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

50689-80-0

2-(2-methoxyethoxy)ethyl carbonochloridate

Conditions
ConditionsYield
at 3 - 5℃; for 3h;99%
In toluene at 20℃; for 4h;
In benzene
In toluene at 0 - 20℃; Inert atmosphere;
664334-21-8

3,5-bis(prop-2-yn-1-yloxy) benzoic acid

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

C18H20O6

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran for 24h;99%
937184-70-8

2-(4-methoxybenzyloxy)-4-methylquinoline

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

333-27-7

methyl trifluoromethanesulfonate

A

C13H20O4

B

2584-47-6

1,4-dimethylquinolin-2(1H)-one

C

5405-95-8

4,4'-dimethoxydibenzyl ether

Conditions
ConditionsYield
With magnesium oxide In various solvent(s) at 0 - 20℃;A 98%
B n/a
C n/a

2-benzyloxy-1-methylpyridinium triflate

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

diethylene glycol benzyl methyl diether

Conditions
ConditionsYield
In α,α,α-trifluorotoluene at 120℃; for 0.333333h; Microwave irradiation;98%
With magnesium oxide In α,α,α-trifluorotoluene at 80℃; for 24h;93%
With magnesium oxide In α,α,α-trifluorotoluene at 83℃; for 24h;93%
With magnesium oxide at 83℃; for 24h; Inert atmosphere;93%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

7285-83-8

2,4,6-tris(benzyloxy)-1,3,5-triazine

diethylene glycol benzyl methyl diether

Conditions
ConditionsYield
With trifluorormethanesulfonic acid In 1,4-dioxane at 20℃; for 2.66667h; Molecular sieve; Inert atmosphere;98%
With trifluorormethanesulfonic acid In 1,4-dioxane at 20℃; for 5h; Inert atmosphere;95%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

98-59-9

p-toluenesulfonyl chloride

2-(2-methoxyethoxy)ethyl-4-methylbenzenesulfonate

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 2h;98%
108-31-6

maleic anhydride

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

(3-diethylene glycol monomethyl ether carbonyl)acrylic acid

Conditions
ConditionsYield
With triethylamine In dichloromethane for 1h; Reflux; Inert atmosphere;98%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

52808-36-3

1-chloro-2-(2-methoxyethoxy)ethane

Conditions
ConditionsYield
With pyridine; thionyl chloride In dichloromethane for 14h; Inert atmosphere; Reflux;97%
With thionyl chloride In N,N-dimethyl-formamide at 28 - 60℃; for 3h;95.2%
With pyridine; thionyl chloride In chloroform for 3h; Heating;92%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

14773-85-4

isocyanate de phenoxysulfonyle

(2-[2-methoxyethoxy]ethyl)-N-(phenoxysulfonyl)carbamate

Conditions
ConditionsYield
at 20℃; for 0.5h;97%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

38565-53-6

(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)oxirane

1185746-42-2

12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluoro-2,5,8-trioxanonadecan-10-ol

Conditions
ConditionsYield
With boron trifluoride diethyl etherate at 100℃; for 10h; Inert atmosphere; regioselective reaction;97%
124-04-9

Adipic acid

111-77-3

2-(2-methoxyethoxy)ethyl alcohol

112-34-5

Diethylene glycol monobutyl ether

methyldiglycol butyldiglycol adipate

Conditions
ConditionsYield
toluene-4-sulfonic acid In toluene at 118 - 145℃; for 6.5h; Heating / reflux;96.9%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

107-13-1

acrylonitrile

35633-45-5

3-(2-(2-methoxyethoxy)ethoxy)propanenitrile

Conditions
ConditionsYield
With potassium hydroxide at 0℃; for 2h; Michael addition; Inert atmosphere;96%
With sodium hydroxide In water at 25℃; for 6h; Michael Addition;96%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

16024-56-9

2-(2-methoxyethoxy)acetic acid

Conditions
ConditionsYield
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; sodium hydrogencarbonate; sodium carbonate at 20℃; for 2.5h; Electrochemical reaction;96%
Stage #1: 2-(2-methoxyethoxy)ethyl alcohol With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; sodium hydrogencarbonate; sodium carbonate at 20℃; for 2h; aq. buffer; Electroliysis;
Stage #2: With Amberlite IR 120 for 0.5h; aq. buffer;
96%
With chromium(VI) oxide
With Jones reagent In acetone at 20℃;
With oxygen In water at 80℃; under 6000.6 Torr; for 20h; pH=11; Autoclave;
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

4-(4,6-diphenoxy-1,3,5-triazine-2-yl)-4-benzylmorpholinium trifluoromethanesulfonate

diethylene glycol benzyl methyl diether

Conditions
ConditionsYield
With magnesium oxide In 1,2-dimethoxyethane at 20℃; for 2h; Inert atmosphere;96%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

59661-86-8

2-phenylquinoline-4-carbonyl chloride

C21H21NO4

Conditions
ConditionsYield
Schlenk technique;96%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

141-22-0

Ricinoleic acid

ricinoleic acid diethylene glycol monomethyl ether ester

Conditions
ConditionsYield
With sodium hydrogensulfate monohydrate In dichloromethane at 150℃; for 0.416667h; Microwave irradiation; High pressure;96%
111-77-3

2-(2-methoxyethoxy)ethyl alcohol

125542-03-2

1-(chlorodimethylsilyl)-2,3,4,5-tetramethylcyclopenta-2,4-diene

142992-74-3

[2-(2-Methoxy-ethoxy)-ethoxy]-dimethyl-(2,3,4,5-tetramethyl-cyclopenta-2,4-dienyl)-silane

Conditions
ConditionsYield
With pyridine In diethyl ether Ambient temperature;95%
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    2-(2-Methoxyethoxy)Ethanol

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    111-77-3

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    111-77-3

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    111-77-3

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    111-77-3

    MSDS/COA Download

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  • Casno:

    111-77-3

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    Product Name: Diethylene glycol monomethyl ether CAS: 111-77-3 MF: C5H12O3 MW: 120.15 EINECS: 203-906-6 Mol File: 111-77-3.mol Diethylene glycol monomethyl ether Structure Diethylene glycol monomethyl ether Chemical Properties Mel

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    111-77-3

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  • Casno:

    111-77-3

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  • Casno:

    111-77-3

    MSDS/COA Download

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    111-77-3

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  • Casno:

    111-77-3

    2-(2-METHOXYETHOXY)ETHANOL

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    111-77-3

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    111-77-3

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    111-77-3

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    111-77-3

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    111-77-3

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    111-77-3

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    111-77-3

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    111-77-3

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    111-77-3

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    111-77-3

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    111-77-3

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    111-77-3

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  • 2-(2-Methoxyethoxy)ethanol

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    111-77-3

    2-(2-Methoxyethoxy)ethanol

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Consensus Reports

Reported in EPA TSCA Inventory. Glycol ether compounds are on the Community Right-To-Know List.

Specification

The Diethylene glycol monomethyl ether is an organic compound with the formula C5H12O3. The IUPAC name of this chemical is 2-(2-methoxyethoxy)ethanol. With the CAS registry number 111-77-3, it is also named as Ethanol, 2- (2-methoxyethoxy)-. The product's categories are Ethylene Glycols & Monofunctional Ethylene Glycols; Monofunctional Ethylene Glycols. Besides, it should be stored in a cool and ventilated place. It can be used where a solvent with a higher boiling pointermediate is required.

Physical properties about Diethylene glycol monomethyl ether are: (1)ACD/LogD (pH 5.5): -1.16; (2)ACD/LogD (pH 7.4): -1.16; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 5.6; (6)ACD/KOC (pH 7.4): 5.6; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 38.69 Å2; (11)Index of Refraction: 1.412; (12)Molar Refractivity: 30.23 cm3; (13)Molar Volume: 121.3 cm3; (14)Polarizability: 11.98×10-24cm3; (15)Surface Tension: 31.4 dyne/cm; (16)Density: 0.99 g/cm3; (17)Flash Point: 83.9 °C; (18)Enthalpy of Vaporization: 50.07 kJ/mol; (19)Boiling Point: 194.1 °C at 760 mmHg; (20)Vapour Pressure: 0.118 mmHg at 25°C.

Uses of Diethylene glycol monomethyl ether: it can be used to 2-[2-(2-methoxy-ethoxy)-ethoxy]-cyclohexanol by heating. It will need reagent DDQ with reaction time of 12 hours. The yield is about 62%.

When you are using this chemical, please be cautious about it as the following:
This chemical is possible risk of harm to the unborn child. When you are using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COCCOCCO
(2)InChI: InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3
(3)InChIKey: SBASXUCJHJRPEV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 4160mg/kg (4160mg/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 2611mg/kg (2611mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 29, Pg. 37, 1990.
mouse LD50 oral 8222mg/kg (8222mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 29, Pg. 37, 1990.
rabbit LD50 oral 7190mg/kg (7190mg/kg)   National Technical Information Service. Vol. OTS0516797,
rabbit LD50 skin 2500uL/kg (2.5mL/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES

GASTROINTESTINAL: OTHER CHANGES
National Technical Information Service. Vol. OTS0516797,
rat LC inhalation > 2gm/m3/1H (2000mg/m3)   National Technical Information Service. Vol. OTS0516703,
rat LD50 intraperitoneal 2722mg/kg (2722mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 29, Pg. 37, 1990.
rat LD50 oral 4mL/kg (4mL/kg)   National Technical Information Service. Vol. OTS0520737,