Basic information
- Name:
3-Oxetanemethanol,3-ethyl-
- Superlist Name:
- 3-Ethyl-3-oxetanemethanol
- CAS No.:
3047-32-3
- Molecular Structure:
- Formula:
- C6H12O2
- Molecular Weight:
- 116.16
- Deleted CAS:
- 346425-95-4,473440-85-6
- 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
- Appearance:
- clear colorless liquid
- Hazard Symbols:
Xn- Risk Codes:
- 36/37/38-22
- Safety Description:
- 37/39-26 Details
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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
