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
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 °C (12.7517 mmHg)
Melting Point
101-104 °C (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 |
