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CAS No.: | 3047-32-3 |
---|---|
Name: | 3-ETHYL-3-OXETANEMETHANOL |
Article Data: | 13 |
Molecular Structure: | |
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: | Xn |
Risk Codes: | 36/37/38-22 |
Safety: | 37/39-26 |
PSA: | 29.46000 |
LogP: | 0.40530 |
Conditions | Yield |
---|---|
With potassium carbonate; Diethyl carbonate at 110℃; | 72% |
With potassium hydroxide; Diethyl carbonate In ethanol for 2h; Reflux; | 64.7% |
1,1,1-tri(hydroxymethyl)propane
Diethyl carbonate
3-ethyl-3-(hydroxymethyl)oxetane
Conditions | Yield |
---|---|
With potassium hydroxide at 180℃; unter vermindertem Druck; | |
With potassium hydroxide | |
With potassium carbonate |
1,1,1-tri(hydroxymethyl)propane
Diethyl carbonate
3-ethyl-3-(hydroxymethyl)oxetane
Conditions | Yield |
---|---|
Erhitzen des Reaktionsprodukts auf Temperaturen oberhalb von 180grad; |
1,1,1-tri(hydroxymethyl)propane
Diethyl carbonate
A
3-ethyl-3-(hydroxymethyl)oxetane
Conditions | Yield |
---|---|
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; |
1,1,1-tri(hydroxymethyl)propane
carbonic acid dimethyl ester
3-ethyl-3-(hydroxymethyl)oxetane
Conditions | Yield |
---|---|
With potassium hydroxide |
Conditions | Yield |
---|---|
With bis(acetylacetonate)oxovanadium; tetrabutylammomium bromide In toluene at 60℃; under 26252.6 Torr; for 8h; Autoclave; Cooling with ice; chemoselective reaction; |
1,1,1-tri(hydroxymethyl)propane
A
3-ethyl-3-(hydroxymethyl)oxetane
B
3,9-diethyl-3,9-dihydroxymethyl-1,5,7,11-tetraoxaspiro[5,5]undecane
C
3,3,7,7-tetra(hydroxymethyl)-5-oxanonane
Conditions | Yield |
---|---|
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; |
1,1,1-tri(hydroxymethyl)propane
A
3-ethyl-3-(hydroxymethyl)oxetane
B
3,9-diethyl-3,9-dihydroxymethyl-1,5,7,11-tetraoxaspiro[5,5]undecane
Conditions | Yield |
---|---|
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. |
3-ethyl-3-(hydroxymethyl)oxetane
methanesulfonyl chloride
(3-ethyl-3-oxetanyl)methyl methanesulfonate
Conditions | Yield |
---|---|
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; |
3-ethyl-3-(hydroxymethyl)oxetane
acrylic acid methyl ester
3-ethyl-3-(acryloyloxymethyl)oxetane
Conditions | Yield |
---|---|
With mesoporous silica gel supported organotin catalyst for 6h; Reflux; | 98.5% |
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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