trans,trans-2,4-Hexadien-1-ol - CAS 17102-64-6
Catalog: |
BB012701 |
Product Name: |
trans,trans-2,4-Hexadien-1-ol |
CAS: |
17102-64-6 |
Synonyms: |
(2E,4E)-hexa-2,4-dien-1-ol |
IUPAC Name: | (2E,4E)-hexa-2,4-dien-1-ol |
Description: | trans,trans-2,4-Hexadien-1-ol (CAS# 17102-64-6) is a useful reagent that is used in a variety of syntheses and processes including the reversible covalent and supremolecular functionalization of prepared water soluble gold complexes towards antitumor activity. |
Molecular Weight: | 98.14 |
Molecular Formula: | C6H10O |
Canonical SMILES: | CC=CC=CCO |
InChI: | InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3/b3-2+,5-4+ |
InChI Key: | MEIRRNXMZYDVDW-MQQKCMAXSA-N |
Boiling Point: | 80 °C (12 mmHg) |
Melting Point: | 28-33 °C |
Purity: | 95 % |
Density: | 0.871 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. Do not expose to air. |
MDL: | MFCD00002925 |
LogP: | 1.11100 |
Vapor Pressure: | 0.02 [mmHg] |
GHS Hazard Statement: | H302 (99.61%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21050758 | 20101215 | Synthesis of all-cis 2,5-imino-2,5-dideoxy-fucitol and its evaluation as a potent fucosidase and galactosidase inhibitor | Bioorganic & medicinal chemistry letters |
19830306 | 20091107 | The acyl nitroso Diels-Alder (ANDA) reaction of sorbate derivatives: an X-ray and 15N NMR study with an application to amino-acid synthesis | Organic & biomolecular chemistry |
19574215 | 20090911 | Aryl-alcohol oxidase involved in lignin degradation: a mechanistic study based on steady and pre-steady state kinetics and primary and solvent isotope effects with two alcohol substrates | The Journal of biological chemistry |
16048335 | 20050804 | Catalytic enantioselective Diels-Alder reaction by self-assembly of the components on a Lewis acid template | Organic letters |
15813702 | 20050801 | Spectral and catalytic properties of aryl-alcohol oxidase, a fungal flavoenzyme acting on polyunsaturated alcohols | The Biochemical journal |
Complexity: | 72.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 2 |
Exact Mass: | 98.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 98.073164938 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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