-
Name
3-Oxetanemethanol
- EINECS
- CAS No. 6246-06-6
- Density 1.093 g/cm3
- Solubility
- Melting Point
- Formula C4H8O2
- Boiling Point 204.461 °C at 760 mmHg
- Molecular Weight 88.1051
- Flash Point 103.936 °C
- Transport Information
- Appearance
- Safety 26-39
- Risk Codes 22-37/38-41
-
Molecular Structure
- Hazard Symbols Xn
- Synonyms Oxetan-3-yl-methanol;
- PSA 29.46000
- LogP -0.37490
3-Oxetanemethanol Specification
The 3-Oxetanemethanol, with the CAS registry number 6246-06-6, is also known as Oxetan-3-yl-methanol. This chemical's molecular formula is C4H8O2 and molecular weight is 88.1051. What's more, its systematic name is called Oxetan-3-ylmethanol.
Physical properties about 3-Oxetanemethanol are: (1)ACD/LogP: -0.87; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6; (6)ACD/KOC (pH 7.4): 6; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.46 Å2; (11)Index of Refraction: 1.45; (12)Molar Refractivity: 21.669 cm3; (13)Molar Volume: 80.592 cm3; (14)Polarizability: 8.59×10-24 cm3; (15)Surface Tension: 42.526 dyne/cm; (16)Density: 1.093 g/cm3; (17)Flash Point: 103.936 °C; (18)Enthalpy of Vaporization: 51.268 kJ/mol; (19)Boiling Point: 204.461 °C at 760 mmHg; (20)Vapour Pressure: 0.063 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCC1COC1
(2) InChI: InChI=1/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2
(3) InChIKey: SWYHWLFHDVMLHO-UHFFFAOYAH
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