trans-1,2-Cyclohexanediol - CAS 1460-57-7
Catalog: |
BB010033 |
Product Name: |
trans-1,2-Cyclohexanediol |
CAS: |
1460-57-7 |
Synonyms: |
(1R,2R)-cyclohexane-1,2-diol; (1R,2R)-cyclohexane-1,2-diol |
IUPAC Name: | (1R,2R)-cyclohexane-1,2-diol |
Description: | trans-1,2-Cyclohexanediol (CAS# 1460-57-7) is a compound useful in organic synthesis. |
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-/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 |
MDL: | MFCD00063611 |
LogP: | 0.28220 |
Refractive Index: | 1.4270 (estimate) |
Vapor Pressure: | 0.01 [mmHg] |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
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 |
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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 |
20717933 | 20110301 | Exceptional structural and mechanical flexibility of the nuclear pore complex | Journal of cellular physiology |
20429581 | 20100604 | A very active cu-catalytic system for the synthesis of aryl, heteroaryl, and vinyl sulfides | The Journal of organic chemistry |
19778055 | 20091106 | Microwave-assisted Ullmann C-S bond formation: synthesis of the P38alpha MAPK clinical candidate VX-745 | The Journal of organic 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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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