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Name |
1,3-Dioxane-5-methanol, 2,2-dimethyl- |
EINECS | N/A |
CAS No. | 4728-12-5 | Density | 1.004 g/cm3 |
PSA | 38.69000 | LogP | 0.37780 |
Solubility | N/A | Melting Point |
197-198℃ |
Formula | C7H14O3 | Boiling Point | 207.7 °C at 760 mmHg |
Molecular Weight | 146.186 | Flash Point | 95.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
m-Dioxane-5-methanol,2,2-dimethyl- (6CI,8CI);2,2-Dimethyl-5-(hydroxymethyl)-1,3-dixoane;2,2-Dimethyl-5-hydroxymethyl-1,3-dioxane;[2,2-Dimethyl-1,3-dioxan-5-yl)methanol; |
Article Data | 44 |
This chemical is called 1,3-Dioxane-5-methanol, 2,2-dimethyl-, and its systematic name is (2,2-dimethyl-1,3-dioxan-5-yl)methanol. With the molecular formula of C7H14O3, its molecular weight is 146.18. The CAS registry number of this chemical is 4728-12-5.
Other characteristics of the 1,3-Dioxane-5-methanol, 2,2-dimethyl- can be summarised as followings: (1)ACD/LogP: -0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.33; (4)ACD/LogD (pH 7.4): -0.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.8; (8)ACD/KOC (pH 7.4): 15.8; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.424; (14)Molar Refractivity: 37.2 cm3; (15)Molar Volume: 145.5 cm3; (16)Polarizability: 14.75×10-24cm3; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 1.004 g/cm3; (19)Flash Point: 95.9 °C; (20)Enthalpy of Vaporization: 51.64 kJ/mol; (21)Boiling Point: 207.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0518 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OCC1COC(OC1)(C)C
2.InChI: InChI=1/C7H14O3/c1-7(2)9-4-6(3-8)5-10-7/h6,8H,3-5H2,1-2H3
3.InChIKey: BTAUZIVCHJIXAX-UHFFFAOYAX