2,5-Hexanediol - CAS 2935-44-6
Catalog: |
BB020173 |
Product Name: |
2,5-Hexanediol |
CAS: |
2935-44-6 |
Synonyms: |
hexane-2,5-diol |
IUPAC Name: | hexane-2,5-diol |
Description: | 2,5-Hexanediol (CAS# 2935-44-6) is a useful research chemical. |
Molecular Weight: | 118.17 |
Molecular Formula: | C6H14O2 |
Canonical SMILES: | CC(CCC(C)O)O |
InChI: | InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3 |
InChI Key: | OHMBHFSEKCCCBW-UHFFFAOYSA-N |
Boiling Point: | 216-218 °C (lit.) |
Melting Point: | 43 °C |
Flash Point: | 110 °C |
Density: | 0.96 g/cm3 |
Solubility: | Solubility in water: freely soluble |
Appearance: | Clear colorless to light yellow viscous liquid |
Storage: | 2-8 °C |
MDL: | MFCD00004557 |
LogP: | 0.52820 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3842469-A1 | Material for forming organic film, method for forming organic film, patterning process, and compound | 20191226 |
WO-2021124223-A1 | Low temperature stable aqueous formulations of n-(n-butyl) thiophosphoric triamide | 20191220 |
WO-2021125559-A1 | Super-absorbent resin composition | 20191220 |
WO-2021125560-A1 | Superabsorbent polymer composition | 20191220 |
WO-2021125871-A1 | Preparation method of super absorbent polymer composition | 20191220 |
PMID | Publication Date | Title | Journal |
21154803 | 20110103 | Structural Analysis of CYP101C1 from Novosphingobium aromaticivorans DSM12444 | Chembiochem : a European journal of chemical biology |
21966419 | 20110101 | Biochemical, structural and molecular dynamics analyses of the potential virulence factor RipA from Yersinia pestis | PloS one |
20480039 | 20100414 | Engineering cofactor preference of ketone reducing biocatalysts: A mutagenesis study on a γ-diketone reductase from the yeast Saccharomyces cerevisiae serving as an example | International journal of molecular sciences |
18452026 | 20080701 | Laboratory evolution of Pyrococcus furiosus alcohol dehydrogenase to improve the production of (2S,5S)-hexanediol at moderate temperatures | Extremophiles : life under extreme conditions |
17572395 | 20070723 | The function of microglia, either neuroprotection or neurotoxicity, is determined by the equilibrium among factors released from activated microglia in vitro | Brain research |
Complexity: | 46.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.099379685 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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