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CAS No.: | 14774-36-8 |
---|---|
Name: | (Tetrahydro-pyran-3-yl)-methanol |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H12O2 |
Molecular Weight: | 116.16 |
Synonyms: | Pyran-3-methanol,tetrahydro- (6CI,7CI);(Tetrahydropyran-3-yl)methanol;3-(Hydroxymethyl)tetrahydropyran;5-(Hydroxymethyl)tetrahydropyran; |
EINECS: | 238-841-2 |
Density: | 1 g/cm3 |
Boiling Point: | 214.3 °C at 760 mmHg |
Flash Point: | 94.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 37/38-41 |
Safety: | 26-39 |
PSA: | 29.46000 |
LogP: | 0.40530 |
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The (Tetrahydro-pyran-3-yl)-methanol, with the CAS registry number 14774-36-8, is also known as Tetrahydro-2H-pyran-3-methanol. Its EINECS registry number is 238-841-2. This chemical's molecular formula is C6H12O2 and molecular weight is 116.16. Its IUPAC name is called oxan-3-ylmethanol. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of (Tetrahydro-pyran-3-yl)-methanol: (1)ACD/LogP: -0.32; (2)ACD/LogD (pH 5.5): -0.32; (3)ACD/LogD (pH 7.4): -0.32; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 15.87; (7)ACD/KOC (pH 7.4): 15.87; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.445; (12)Molar Refractivity: 30.89 cm3; (13)Molar Volume: 116 cm3; (14)Surface Tension: 36.8 dyne/cm; (15)Density: 1 g/cm3; (16)Flash Point: 94.5 °C; (17)Enthalpy of Vaporization: 52.41 kJ/mol; (18)Boiling Point: 214.3 °C at 760 mmHg; (19)Vapour Pressure: 0.0345 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(COC1)CO
(2)InChI: InChI=1S/C6H12O2/c7-4-6-2-1-3-8-5-6/h6-7H,1-5H2
(3)InChIKey: VFTQJKSRDCKVQA-UHFFFAOYSA-N