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3236-47-3

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Basic Information
CAS No.: 3236-47-3
Name: [4-(hydroxymethyl)cyclohexyl]methanol
Article Data: 13
Molecular Structure:
Molecular Structure of 3236-47-3 ([4-(hydroxymethyl)cyclohexyl]methanol)
Formula: C8H16O2
Molecular Weight: 144.214
Synonyms: cis-1,4-Bis(hydroxymethyl)cyclohexane;cis-1,4-Bis-hydroxymethyl-cyclohexane;cis-Cyclohexane-1,4-diyldimethanol;
Density: 1.004 g/cm3
Melting Point: 42-43 °C
Boiling Point: 286.229 °C at 760 mmHg
Flash Point: 161.111 °C
PSA: 40.46000
LogP: 0.77740
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  • 1,4-Cyclohexanedimethanol,cis-

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  • 1,4-CYCLOHEXANEDIMETHANOL,CIS-CAS

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Specification

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%.

1,4-Cyclohexanedimethanol,cis- can be used to produce cis-1,4-bis-bromomethyl-cyclohexane

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