Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(2S)-1,4-Dioxan-2-yl-methanol |
EINECS | N/A |
CAS No. | 406913-93-7 | Density | 1.102 |
PSA | 38.69000 | LogP | -0.60590 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H10O3 | Boiling Point | 208.2±15.0 °C(Predicted) |
Molecular Weight | 118.133 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(S)-(1,4-dioxan-2-yl)methanol;RW4129;(2S)-1,4-dioxan-2-ylmethanol;[1,4]dioxan-2-yl-methanol;S14-2636; |
Article Data | 19 |
The (2S)-1,4-Dioxan-2-yl-methanol, with the cas registry number of 406913-93-7, is also known as 1,4-Dioxane-2-methanol, (2S)- and (S)-2-Hydroxymethyl-[1,4]dioxane. This chemical's molecular formula is C5H10O3 and formula weight is 118.13. What's more, its systematic name is called (2S)-1,4-Dioxan-2-ylmethanol.
Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 10.08; (5)ACD/KOC (pH 7.4): 10.08; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 38.69 Å2; (10)Index of Refraction: 1.433; (11)Molar Refractivity: 27.88 cm3; (12)Molar Volume: 107.1 cm3; (13)Surface Tension: 40.6 dyne/cm; (14)Density: 1.102 g/cm3; (15)Flash Point: 96.2 °C; (16)Enthalpy of Vaporization: 51.7 kJ/mol; (17)Boiling Point: 208.2 °C at 760 mmHg; (18)Vapour Pressure: 0.0503 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C1CO[C@H](CO1)CO;
(2)InChI: InChI=1/C5H10O3/c6-3-5-4-7-1-2-8-5/h5-6H,1-4H2/t5-/m0/s1;
(3)InChIKey: CMEPUAROFJSGJN-YFKPBYRVBL;
(4)Std. InChI: InChI=1S/C5H10O3/c6-3-5-4-7-1-2-8-5/h5-6H,1-4H2/t5-/m0/s1;
(5)Std. InChIKey: CMEPUAROFJSGJN-YFKPBYRVSA-N.