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Ethanol, 2,2-dimethoxy-

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Name

Ethanol, 2,2-dimethoxy-

EINECS 250-398-7
CAS No. 30934-97-5 Density 1.009 g/cm3
PSA 38.69000 LogP -0.40240
Solubility Miscible with water. Melting Point <-76°C
Formula C4H10O3 Boiling Point 146.1 °C at 760 mmHg
Molecular Weight 106.122 Flash Point 42.2 °C
Transport Information N/A Appearance N/A
Safety 23-24/25 Risk Codes 23-24/25
Molecular Structure Molecular Structure of 30934-97-5 (GLYCOLALDEHYDE DIMETHYL ACETAL) Hazard Symbols N/A
Synonyms

Glycolaldehyde,dimethyl acetal (6CI,7CI);2,2-Dimethoxyethanol;Hydroxyacetaldehyde dimethylacetal;2,2-dimethoxyethanol;

Article Data 22

Ethanol, 2,2-dimethoxy- Synthetic route

67-56-1

methanol

30934-97-5

2,2-dimethoxyethanol

Conditions
ConditionsYield
aminopropylated Silica-Gel hydrochloride (APSG*HCl) resin for 15h; Ambient temperature;92%
With hydrogenchloride at 89.84℃; for 1h; Reagent/catalyst; Time;72 %Chromat.
67-56-1

methanol

107-31-3

Methyl formate

30934-97-5

2,2-dimethoxyethanol

Conditions
ConditionsYield
With titanium tetrachloride for 3h; Irradiation;68%
67-56-1

methanol

64-18-6

formic acid

30934-97-5

2,2-dimethoxyethanol

Conditions
ConditionsYield
With titanium tetrachloride for 3h; Irradiation;37%
67-56-1

methanol

141-46-8

Glycolaldehyde

A

30934-97-5

2,2-dimethoxyethanol

B

96-35-5

glycolic acid methyl ester

C

107-21-1

ethylene glycol

Conditions
ConditionsYield
tris(triphenylphosphine)ruthenium(II) chloride In 1,4-dioxane at 70℃; for 2 - 5h; Product distribution / selectivity;A n/a
B n/a
C 35%
With triethylamine; tris(triphenylphosphine)ruthenium(II) chloride In 1,4-dioxane at 70℃; for 2 - 5h; Product distribution / selectivity;A n/a
B n/a
C 35%
With potassium carbonate; tris(triphenylphosphine)ruthenium(II) chloride In 1,4-dioxane at 20℃; for 2 - 5h; Product distribution / selectivity;A n/a
B n/a
C 27%
With caesium carbonate; tris(triphenylphosphine)ruthenium(II) chloride In 1,4-dioxane at 20℃; for 2 - 5h; Product distribution / selectivity;A n/a
B n/a
C 27%
With potassium hydroxide; dichloro(pentamethylcyclopentadienyl) iridium In 1,4-dioxane at 70℃; for 2 - 5h; Product distribution / selectivity;A n/a
B n/a
C 20%
57346-02-8

methoxyoxirane

67-56-1

methanol

30934-97-5

2,2-dimethoxyethanol

127657-97-0

2-benzyloxy-1,1-dimethoxyethane

30934-97-5

2,2-dimethoxyethanol

Conditions
ConditionsYield
With diethyl ether; ammonia; sodium
67-56-1

methanol

141-46-8

Glycolaldehyde

30934-97-5

2,2-dimethoxyethanol

Conditions
ConditionsYield
With hydrogenchloride
With S2O82-/silicon MCM-41 at 100℃; for 3h;

Ethanol, 2,2-dimethoxy- Specification

The Ethanol, 2,2-dimethoxy-, with the CAS registry number 30934-97-5 and EINECS registry number 250-398-7, has the systematic name and IUPAC name of 2,2-dimethoxyethanol. And the molecular formula of the chemical is C4H10O3. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes, and do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).

The characteristics of Ethanol, 2,2-dimethoxy- are as followings: (1)ACD/LogP: -0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.41; (4)ACD/LogD (pH 7.4): -0.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.31; (8)ACD/KOC (pH 7.4): 14.31; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.401; (14)Molar Refractivity: 25.56 cm3; (15)Molar Volume: 105.1 cm3; (16)Polarizability: 10.13×10-24cm3; (17)Surface Tension: 29.3 dyne/cm; (18)Density: 1.009 g/cm3; (19)Flash Point: 42.2 °C; (20)Enthalpy of Vaporization: 44.63 kJ/mol; (21)Boiling Point: 146.1 °C at 760 mmHg; (22)Vapour Pressure: 1.85 mmHg at 25°C.

Preparation of Ethanol, 2,2-dimethoxy-: This chemical can be prepared by methanol and formic acid methyl ester. The reaction will need reagent titanium(IV) chloride. The reaction time is 3 hours with irridieation, and the yield is about 68%. 

Uses of Ethanol, 2,2-dimethoxy-: It can react with 3-methyl-but-2-enoyl chloride to produce 2,2-dimethoxyethyl 3-methyl-2-butenoate. This reaction will need reagent pyridine, and the menstruum CH2Cl2. And the yield is about 78%. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCC(OC)OC
(2)InChI: InChI=1/C4H10O3/c1-6-4(3-5)7-2/h4-5H,3H2,1-2H3
(3)InChIKey: NYPNCQTUZYWFGG-UHFFFAOYAP

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