trans-1,2-Cyclohexanediol

Product Information

Molecular Formula:
C6H12O2
Molecular Weight:
116.16
Description
trans-1,2-Cyclohexanediol (CAS# 1460-57-7) is a compound useful in organic synthesis.
Synonyms
(1R,2R)-cyclohexane-1,2-diol; (1R,2R)-cyclohexane-1,2-diol
IUPAC Name
(1R,2R)-cyclohexane-1,2-diol
Canonical SMILES
C1CCC(C(C1)O)O
InChI
InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
InChI Key
PFURGBBHAOXLIO-PHDIDXHHSA-N
Boiling Point
117 ℃ (12.7517 mmHg)
Melting Point
101-104 ℃ (lit.)
Flash Point
134 °C
Purity
> 99.0 % (GC)
Density
0.9958 (rou gh estimate)
Appearance
White to almost white powder to crystal
Refractive Index
1.4270 (estimate)
LogP
0.28220
Vapor Pressure
0.01 [mmHg]

Safety Information

Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
0.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
116.083729621 g/mol
Monoisotopic Mass
116.083729621 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
62.9
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113952948-A Molybdenum oxide catalyst for preparing cyclohexanediol by oxidizing cyclohexene and preparation method and application thereof 2021-11-19
CN-112961037-A Method for resolving racemic chiral compound by molecular distillation method 2021-02-08
CN-112662202-A Surface-modified cerium oxide particles and polishing solution containing same 2021-01-04
CN-112778911-A Application of surface-modified cerium oxide particles as polishing solution abrasive particles 2021-01-04
CN-112778970-A Method for preparing surface-modified cerium oxide particles and polishing solution containing same 2021-01-04
WO-2022049036-A2 Process for preparing 3-(cyclohex-1-en-1-yl)propanal derivatives 2020-09-01
WO-2022008919-A1 Polymerisation process 2020-07-08
CN-111826105-A Packaging adhesive for LED and use method and application thereof 2020-06-11
CN-111925529-A POSS (polyhedral oligomeric silsesquioxane) modified silane terminated liquid fluororubber, adhesive and preparation method 2020-06-10
EP-3907212-A1 Metal-free method for oxidative cleavage of vic-diols to carboxylic acids 2020-05-06

Literatures

PMID Publication Date Title Journal
22711445 2012-07-01 Assessment of the nuclear pore dilating agent trans-cyclohexane-1,2-diol in differentiated airway epithelium The journal of gene medicine
22050606 2012-02-01 α-Carbonic anhydrases are sulfatases with cyclic diol monosulfate esters Journal of enzyme inhibition and medicinal chemistry
21634386 2011-07-04 Theoretical study of oxidation of cyclohexane diol to adipic anhydride by [Ru(IV)(O)(tpa)(H2O)]2+ complex (tpa ═ tris(2-pyridylmethyl)amine) Inorganic chemistry
20429581 2010-06-04 A very active cu-catalytic system for the synthesis of aryl, heteroaryl, and vinyl sulfides The Journal of organic chemistry
19719179 2009-08-06 On the origins of kinetic resolution of cyclohexane-1,2-diols through stereoselective acylation by chiral tetrapeptides Organic letters
19166366 2009-02-02 From simple diols to carbohydrate derivatives of phenylarsonic acid Inorganic chemistry
19430194 2009-01-01 Oxidation of cyclohexanediol derivatives with 12-tungstophosphoric acid-hydrogen peroxide system Journal of oleo science
18001100 2007-12-21 Advantages of synthesizing trans-1,2-cyclohexanediol in a continuous flow microreactor over a standard glass apparatus The Journal of organic chemistry
16586103 2006-10-01 Biocatalytic production of enantiopure cyclohexane-trans-1,2-diol using extracellular lipases from Bacillus subtilis Applied microbiology and biotechnology
12939524 2003-08-01 Absence of interactive effects of trans-1,2-cyclohexanediol, a major metabolite of the side-chain of candesartan cilexetil, on digoxin-induced arrhythmias in dogs Journal of pharmacological sciences
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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