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CAS No.: | 5694-68-8 |
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Name: | 2-HYDROXYMETHYL-1,3-DIOXOLANE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C4H8O3 |
Molecular Weight: | 104.106 |
Synonyms: | (1,3-Dioxolan-2-yl)methanol;2-(Hydroxymethyl)-1,3-dioxolane;Acetaldehyde, hydroxy-, cyclic 1,2-ethanediylacetal;NSC 163968; |
Density: | 1.164 g/cm3 |
Boiling Point: | 174.2 °C at 760 mmHg |
Flash Point: | 76.1 °C |
PSA: | 38.69000 |
LogP: | -0.64840 |
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The 1,3-Dioxolane-2-methanol, with the CAS registry number 5694-68-8, is also known as 1,3-Dioxolan-2-ylmethan-1-ol. This chemical's molecular formula is C4H8O3 and molecular weight is 104.10452. Its IUPAC name is called 1,3-dioxolan-2-ylmethanol.
Physical properties of 1,3-Dioxolane-2-methanol: (1)ACD/LogP: -0.64; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Index of Refraction: 1.433; (6)Molar Refractivity: 23.27 cm3; (7)Molar Volume: 89.3 cm3; (8)Surface Tension: 44.1 dyne/cm; (9)Density: 1.164 g/cm3; (10)Flash Point: 76.1 °C; (11)Enthalpy of Vaporization: 47.8 kJ/mol; (12)Boiling Point: 174.2 °C at 760 mmHg; (13)Vapour Pressure: 0.38 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COC(O1)CO
(2)InChI: InChI=1S/C4H8O3/c5-3-4-6-1-2-7-4/h4-5H,1-3H2
(3)InChIKey: ZAGUSKAXELYWCE-UHFFFAOYSA-N