| Identification | |
| Name: | 1,1-Cyclobutanedimethanol |
| Synonyms: | (1-Hydroxymethylcyclobutyl)methanol;1,1-Bis(hydroxymethyl)cyclobutane;[1-(Hydroxymethyl)cyclobutan-1-yl]methanol; |
| CAS: | 4415-73-0 |
| Molecular Formula: | C6H12O2 |
| Molecular Weight: | 116.16 |
| InChI: | InChI=1/C6H12O2/c7-4-6(5-8)2-1-3-6/h7-8H,1-5H2 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.09 g/cm3 |
| Refractive index: | 1.49 |
| Specification: |
The 1,1-Bis(hydroxymethyl)cyclobutane, with the cas registry number 4415-73-0, has the systematic name of cyclobutane-1,1-diyldimethanol. And the molecular formula of the chemical is C6H12O2. The characteristics of this chemical are as followings: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.42; (4)ACD/LogD (pH 7.4): -0.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.02; (8)ACD/KOC (pH 7.4): 14.02; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 30.8 cm3; (15)Molar Volume: 106.5 cm3; (16)Polarizability: 12.21×10-24cm3; (17)Surface Tension: 52.4 dyne/cm; (18)Density: 1.09 g/cm3; (19)Flash Point: 122.6 °C; (20)Enthalpy of Vaporization: 56.55 kJ/mol; (21)Boiling Point: 249.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00365 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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