cis-1,2-Cyclohexanediol - CAS 1792-81-0

Name: cis-1,2-Cyclohexanediol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	(1R,2S)-cyclohexane-1,2-diol
Description:	cis-1,2-Cyclohexanediol (CAS# 1792-81-0) is a reagent used in the synthesis of boronic esters of corannulene which are used to prepare icosahedral supramolecules.
Molecular Weight:	116.16
Molecular Formula:	C6H12O2
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+
InChI Key:	PFURGBBHAOXLIO-OLQVQODUSA-N
Boiling Point:	116 °C / 13 mmHg
Melting Point:	98-101 °C
Purity:	95 %
Density:	1.156 g/cm³
Appearance:	White to light beige crystalline flakes or powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00064944
LogP:	0.28220
Refractive Index:	1.4270 (estimate)
Vapor Pressure:	0.01 [mmHg]

Publication Number	Title	Priority Date
CN-113200842-A	Adipic acid preparation method and system	20210508
CN-112608263-A	Tellurium organic complex, preparation method thereof and tellurium-doped liquid scintillator containing complex	20201130
WO-2021122386-A1	Glycolic acid polymer	20191218
WO-2021122391-A1	Downhole tool member comprising a branched poly(hydroxyacid)	20191218
US-2020353105-A1	Macrocyclic Chelators and Methods of Use Thereof	20190510

PMID	Publication Date	Title	Journal
22711445	20120701	Assessment of the nuclear pore dilating agent trans-cyclohexane-1,2-diol in differentiated airway epithelium	The journal of gene medicine
21634386	20110704	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	20100604	A very active cu-catalytic system for the synthesis of aryl, heteroaryl, and vinyl sulfides	The Journal of organic chemistry
19719179	20090806	On the origins of kinetic resolution of cyclohexane-1,2-diols through stereoselective acylation by chiral tetrapeptides	Organic letters
19166366	20090202	From simple diols to carbohydrate derivatives of phenylarsonic acid	Inorganic chemistry

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