Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
cis-1,4-Cyclohexanedimethanol |
EINECS | N/A |
CAS No. | 3236-47-3 | Density | 1.004 g/cm3 |
PSA | 40.46000 | LogP | 0.77740 |
Solubility | N/A | Melting Point |
42-43 °C |
Formula | C8H16O2 | Boiling Point | 286.229 °C at 760 mmHg |
Molecular Weight | 144.214 | Flash Point | 161.111 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
cis-1,4-Bis(hydroxymethyl)cyclohexane;cis-1,4-Bis-hydroxymethyl-cyclohexane;cis-Cyclohexane-1,4-diyldimethanol; |
Article Data | 13 |
The 1,4-Cyclohexanedimethanol,cis-, with the CAS registry number 3236-47-3, is also known as cis-1,4-Bis(hydroxymethyl)cyclohexane. This chemical's molecular formula is C8H16O2 and molecular weight is 144.21. What's more, its systematic name is cis-cyclohexane-1,4-diyldimethanol.
Physical properties of 1,4-Cyclohexanedimethanol,cis- are: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 37; (8)ACD/KOC (pH 7.4): 37; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 40.128 cm3; (15)Molar Volume: 143.596 cm3; (16)Polarizability: 15.908×10-24cm3; (17)Surface Tension: 40.555 dyne/cm; (18)Density: 1.004 g/cm3; (19)Flash Point: 161.111 °C; (20)Enthalpy of Vaporization: 60.963 kJ/mol; (21)Boiling Point: 286.229 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Uses of 1,4-Cyclohexanedimethanol,cis-: it can be used to produce cis-1,4-bis-bromomethyl-cyclohexane. It will need reagent PBr3 and solvent 1,2-dimethoxy-ethane benzene at the temperature of 15 °C with the reaction time of 1 hour. It need reflux for 75 minutes. The yield is about 62%.
You can still convert the following datas into molecular structure:
(1)SMILES: OC[C@@H]1CC[C@H](CO)CC1
(2)Std. InChI: InChI=1S/C8H16O2/c9-5-7-1-2-8(6-10)4-3-7/h7-10H,1-6H2/t7-,8+
(3)Std. InChIKey: YIMQCDZDWXUDCA-OCAPTIKFSA-N