1,3-Cyclohexanediol, mixture of cis and trans

Product Information

Molecular Formula:
C6H12O2
Molecular Weight:
116.16
Description
1,3-Cyclohexanediol, mixture of cis and trans (CAS# 504-01-8) is a useful research chemical.
Synonyms
cyclohexane-1,3-diol
IUPAC Name
cyclohexane-1,3-diol
Canonical SMILES
C1CC(CC(C1)O)O
InChI
InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2
InChI Key
RLMGYIOTPQVQJR-UHFFFAOYSA-N
Boiling Point
246-247 °C (lit.)
Melting Point
30 °C
Flash Point
>230 °F
Purity
> 98.0 % (GC)
Density
0.9958 (rou gh estimate)
Appearance
White to almost white powder to crystal
Refractive Index
1.495-1.497
LogP
0.28220

Safety Information

Hazards
H319 - H335
Precautionary Statement
P305 + P351 + P338
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
64.9
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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CN-113980259-A Method for preparing polycarbonate by using 1,1,3,3,4,4,6, 6-octamethyltetrahydropentene-2, 5-diol 2021-10-14
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Literatures

PMID Publication Date Title Journal
22579521 2012-10-01 Thermal expansion of the cryoprotectant cocktail DP6 combined with synthetic ice modulators in presence and absence of biological tissues Cryobiology
22259513 2012-01-01 3-Cyclo-propyl-1-(4-methyl-phenyl-sulfon-yl)piperidine-3,5-diol Acta crystallographica. Section E, Structure reports online
22649749 2012-01-01 Acylation of Chiral Alcohols: A Simple Procedure for Chiral GC Analysis Journal of analytical methods in chemistry
21120472 2011-03-01 Purification, characterization, and cloning of a bifunctional molybdoenzyme with hydratase and alcohol dehydrogenase activity Applied microbiology and biotechnology
21588737 2010-08-28 Cyclo-hexane-1,3-diyl bis-(N-phenyl-carbamate) Acta crystallographica. Section E, Structure reports online
16901110 2006-08-18 Enzymatic resolution, desymmetrization, and dynamic kinetic asymmetric transformation of 1,3-cycloalkanediols The Journal of organic chemistry
12896934 2003-08-02 Enzyme potentiated desensitisation in treatment of seasonal allergic rhinitis: double blind randomised controlled study BMJ (Clinical research ed.)
12661531 2003-01-01 Alicycliphilus denitrificans gen. nov., sp. nov., a cyclohexanol-degrading, nitrate-reducing beta-proteobacterium International journal of systematic and evolutionary microbiology
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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