CAS No.25712-33-8,trans-1,2-Cyclohexanedimethanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25712-33-8
Name:	trans-1,2-Cyclohexanedimethanol

Formula:	C₈H₁₆O₂
Molecular Weight:	144.21
Synonyms:	trans-1,2-Bis(hydroxymethyl)cyclohexane;
Density:	1.004 g/cm³
Melting Point:	55.0 to 59.0 °C
Boiling Point:	270.082 °C at 760 mmHg
Flash Point:	128.974 °C
Hazard Symbols:	Xi
PSA:	40.46000
LogP:	0.77740

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Specification

The Trans-1,2-cyclohexanedimethanol, with the CAS registry number 25712-33-8, is also known as 1,2-cyclohexanedimethanol, (1R,2R)-. This chemical's molecular formula is C₈H₁₆O₂ and molecular weight is 144.21. What's more, its systematic name is called (1R,2R)-1,2-Cyclohexanediyldimethanol. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about this chemical are: (1)ACD/LogP: 0.614; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.61; (4)ACD/LogD (pH 7.4): 0.61; (5)ACD/BCF (pH 5.5): 1.72; (6)ACD/BCF (pH 7.4): 1.72; (7)ACD/KOC (pH 5.5): 51.39; (8)ACD/KOC (pH 7.4): 51.39; (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: 1.47; (14)Molar Refractivity: 40.128 cm³; (15)Molar Volume: 143.596 cm³; (16)Polarizability: 15.908×10^-24cm³; (17)Surface Tension: 40.56 dyne/cm; (18)Density: 1.004 g/cm³; (19)Flash Point: 128.974 °C; (20)Enthalpy of Vaporization: 59.012 kJ/mol; (21)Boiling Point: 270.082 °C at 760 mmHg; (22)Vapour Pressure: 0.0010 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC[C@@H]1CCCC[C@H]1CO
(2) InChI: InChI=1S/C8H16O2/c9-5-7-3-1-2-4-8(7)6-10/h7-10H,1-6H2/t7-,8-/m0/s1
(3) InChIKey: XDODWINGEHBYRT-YUMQZZPRSA-N