Basic Information | Post buying leads | Suppliers |
Name |
2-Methylpropoxymethanediol |
EINECS | N/A |
CAS No. | 6630-97-3 | Density | 1.061 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H12O3 | Boiling Point | 54.2 °C at 760 mmHg |
Molecular Weight | 120.15 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(2-Methylpropoxy)methanediol; |
The 2-Methylpropoxymethanediol, with the CAS registry number 6630-97-3. This chemical's molecular formula is C5H12O3 and molecular weight is 120.15. What's more, its systematic name is (2-Methylpropoxy)methanediol.
Physical properties of 2-Methylpropoxymethanediol are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 27.69 Å2; (7)Index of Refraction: 1.441; (8)Molar Refractivity: 29.94 cm3; (9)Molar Volume: 113.1 cm3; (10)Polarizability: 11.87×10-24 cm3; (11)Surface Tension: 36.8 dyne/cm; (12)Density: 1.061 g/cm3; (13)Enthalpy of Vaporization: 34.66 kJ/mol; (14)Boiling Point: 54.2 °C at 760 mmHg; (15)Vapour Pressure: 199 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)COC(O)O
(2)InChI: InChI=1S/C5H12O3/c1-4(2)3-8-5(6)7/h4-7H,3H2,1-2H3
(3)InChIKey: HTKHARRVPIOLGW-UHFFFAOYSA-N