1,3-Cyclohexanediol, mixture of cis and trans - CAS 504-01-8
Catalog: |
BB027039 |
Product Name: |
1,3-Cyclohexanediol, mixture of cis and trans |
CAS: |
504-01-8 |
Synonyms: |
cyclohexane-1,3-diol |
IUPAC Name: | cyclohexane-1,3-diol |
Description: | 1,3-Cyclohexanediol, mixture of cis and trans (CAS# 504-01-8) is a useful research chemical. |
Molecular Weight: | 116.16 |
Molecular Formula: | C6H12O2 |
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 |
MDL: | MFCD00039458 |
LogP: | 0.28220 |
Refractive Index: | 1.495-1.497 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P305 + P351 + P338 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22579521 | 20121001 | Thermal expansion of the cryoprotectant cocktail DP6 combined with synthetic ice modulators in presence and absence of biological tissues | Cryobiology |
22259513 | 20120101 | 3-Cyclo-propyl-1-(4-methyl-phenyl-sulfon-yl)piperidine-3,5-diol | Acta crystallographica. Section E, Structure reports online |
22649749 | 20120101 | Acylation of Chiral Alcohols: A Simple Procedure for Chiral GC Analysis | Journal of analytical methods in chemistry |
21120472 | 20110301 | Purification, characterization, and cloning of a bifunctional molybdoenzyme with hydratase and alcohol dehydrogenase activity | Applied microbiology and biotechnology |
21588737 | 20100828 | Cyclo-hexane-1,3-diyl bis-(N-phenyl-carbamate) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 64.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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