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Basic Information
CAS No.: 3047-32-3
Name: 3-ETHYL-3-OXETANEMETHANOL
Article Data: 13
Molecular Structure:
Molecular Structure of 3047-32-3 (3-ETHYL-3-OXETANEMETHANOL)
Formula: C6H12O2
Molecular Weight: 116.16
Synonyms: (3-Ethyloxetan-3-yl)methanol;3-Ethyl-3-(hydroxymethyl)oxacyclobutane;3-Ethyl-3-(hydroxymethyl)oxetane;3-Ethyl-3-methyloloxetane;3-Hydroxymethyl-3-ethyloxetane;Aron Oxetane OXT 101;Cyracure UVR 6000;EOXA;Eternacoll EHO;OXA (oxetane);OXT 101;UVR 6000;
EINECS: 221-254-0
Density: 0.996 g/cm3
Boiling Point: 203 °C at 760 mmHg
Flash Point: 86.5 °C
Solubility: Miscible in water.
Appearance: clear colorless liquid
Hazard Symbols: HarmfulXn
Risk Codes: 36/37/38-22
Safety: 37/39-26
PSA: 29.46000
LogP: 0.40530
Synthetic route
77-99-6

1,1,1-tri(hydroxymethyl)propane

3047-32-3

3-ethyl-3-(hydroxymethyl)oxetane

Conditions
ConditionsYield
With potassium carbonate; Diethyl carbonate at 110℃;72%
With potassium hydroxide; Diethyl carbonate In ethanol for 2h; Reflux;64.7%
77-99-6

1,1,1-tri(hydroxymethyl)propane

105-58-8

Diethyl carbonate

3047-32-3

3-ethyl-3-(hydroxymethyl)oxetane

Conditions
ConditionsYield
With potassium hydroxide at 180℃; unter vermindertem Druck;
With potassium hydroxide
With potassium carbonate
77-99-6

1,1,1-tri(hydroxymethyl)propane

105-58-8

Diethyl carbonate

ethanolic KOH-solution

ethanolic KOH-solution

3047-32-3

3-ethyl-3-(hydroxymethyl)oxetane

Conditions
ConditionsYield
Erhitzen des Reaktionsprodukts auf Temperaturen oberhalb von 180grad;
77-99-6

1,1,1-tri(hydroxymethyl)propane

105-58-8

Diethyl carbonate

A

3047-32-3

3-ethyl-3-(hydroxymethyl)oxetane

B

trimethylolpropane cyclic monocarbonate

Conditions
ConditionsYield
Stage #1: 1,1,1-tri(hydroxymethyl)propane; Diethyl carbonate With potassium hydroxide at 120℃;
Stage #2: at 250℃; under 6.00048 Torr; Title compound not separated from byproducts;
77-99-6

1,1,1-tri(hydroxymethyl)propane

616-38-6

carbonic acid dimethyl ester

3047-32-3

3-ethyl-3-(hydroxymethyl)oxetane

Conditions
ConditionsYield
With potassium hydroxide
503-30-0

trimethylene oxide

124-38-9

carbon dioxide

3047-32-3

3-ethyl-3-(hydroxymethyl)oxetane

Conditions
ConditionsYield
With bis(acetylacetonate)oxovanadium; tetrabutylammomium bromide In toluene at 60℃; under 26252.6 Torr; for 8h; Autoclave; Cooling with ice; chemoselective reaction;
77-99-6

1,1,1-tri(hydroxymethyl)propane

A

3047-32-3

3-ethyl-3-(hydroxymethyl)oxetane

B

65282-19-1

3,9-diethyl-3,9-dihydroxymethyl-1,5,7,11-tetraoxaspiro[5,5]undecane

C

23235-61-2

3,3,7,7-tetra(hydroxymethyl)-5-oxanonane

Conditions
ConditionsYield
Stage #1: 1,1,1-tri(hydroxymethyl)propane With urea In water at 100 - 150℃; under 300 - 600 Torr; Alkaline conditions; Large scale;
Stage #2: In water at 100 - 195℃; under 45 Torr; Pyrolysis; Large scale;
77-99-6

1,1,1-tri(hydroxymethyl)propane

A

3047-32-3

3-ethyl-3-(hydroxymethyl)oxetane

B

65282-19-1

3,9-diethyl-3,9-dihydroxymethyl-1,5,7,11-tetraoxaspiro[5,5]undecane

Conditions
ConditionsYield
Stage #1: 1,1,1-tri(hydroxymethyl)propane With zinc diacetate; urea; potassium hydroxide at 140℃; under 300 Torr;
Stage #2: at 195 - 215℃; under 10 - 50 Torr; Pyrolysis;
A 42 %Spectr.
B 18 %Spectr.
3047-32-3

3-ethyl-3-(hydroxymethyl)oxetane

124-63-0

methanesulfonyl chloride

3893-75-2

(3-ethyl-3-oxetanyl)methyl methanesulfonate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 25℃; for 2h; Product distribution / selectivity; Inert atmosphere;99%
With triethylamine In toluene at 5 - 20℃; for 6h;95%
With triethylamine In dichloromethane at 0 - 20℃; for 2h; Concentration; Temperature;93%
With triethylamine
With triethylamine In diethyl ether for 1h;
3047-32-3

3-ethyl-3-(hydroxymethyl)oxetane

292638-85-8

acrylic acid methyl ester

41988-14-1

3-ethyl-3-(acryloyloxymethyl)oxetane

Conditions
ConditionsYield
With mesoporous silica gel supported organotin catalyst for 6h; Reflux;98.5%
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Specification

The 3-Ethyl-3-oxetanemethanol, with CAS registry number 3047-32-3, belongs to the following product categories: (1)Oxetanes; (2)Simple 4-Membered Ring Compounds; (3)Alcohols; (4)C2 to C6; (5)Oxygen Compounds. Its systematic name and its IUPAC name are the same, which is (3-ethyloxetan-3-yl)methanol. This chemical should be stored in cool, dry place.

Physical properties of 3-Ethyl-3-oxetanemethanol: (1)ACD/LogP: -0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.08; (4)ACD/LogD (pH 7.4): -0.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.48; (8)ACD/KOC (pH 7.4): 21.48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 30.9 cm3; (15)Molar Volume: 116.5 cm3; (16)Polarizability: 12.25×10-24cm3; (17)Surface Tension: 40.5 dyne/cm; (18)Enthalpy of Vaporization: 51.1 kJ/mol; (19)Vapour Pressure: 0.0689 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 3-Ethyl-3-oxetanemethanol irritates to eyes, respiratory system and skin. And it is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: OCC1(CC)COC1
(2)InChI: InChI=1/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3
(3)InChIKey: UNMJLQGKEDTEKJ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3
(5)Std. InChIKey: UNMJLQGKEDTEKJ-UHFFFAOYSA-N