1,5-Hexanediol - CAS 928-40-5
Catalog: |
BB040667 |
Product Name: |
1,5-Hexanediol |
CAS: |
928-40-5 |
Synonyms: |
hexane-1,5-diol |
IUPAC Name: | hexane-1,5-diol |
Description: | 1,5-Hexanediol (CAS# 928-40-5) is an intermediate in the synthesis of (R)-cis-5ξ-Methyl Atracurium Dibesylate (M288320), which is a derivative of Atracurium (A794500) Dibesylate which displays neuromuscular blocking activity. |
Molecular Weight: | 118.17 |
Molecular Formula: | C6H14O2 |
Canonical SMILES: | CC(CCCCO)O |
InChI: | InChI=1S/C6H14O2/c1-6(8)4-2-3-5-7/h6-8H,2-5H2,1H3 |
InChI Key: | UNVGBIALRHLALK-UHFFFAOYSA-N |
Boiling Point: | 89-91 °C / 0.5 mmHg (lit.) |
Purity: | 99 % |
Density: | 0.981 g/mL at 25 °C (lit.) |
Appearance: | Colorless viscous liquid |
LogP: | 0.52980 |
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 |
Publication Number | Title | Priority Date |
BR-102020003074-A2 | COMPOSITION OF BIODEGRADABLE, COMPOSABLE AND RECYCLABLE FOAM AND RESULTING PRODUCTS | 20200213 |
WO-2021124782-A1 | Aqueous resin composition, aqueous surface treatment agent, and article | 20191220 |
EP-3838891-A1 | Aldimines and uses thereof | 20191219 |
WO-2021122594-A1 | Aldimines and uses thereof | 20191219 |
WO-2021127678-A1 | Home care compositions | 20191219 |
PMID | Publication Date | Title | Journal |
21587634 | 20100930 | 4-Amino-N-(3-meth-oxy-pyrazin-2-yl)benzene-sulfonamide | Acta crystallographica. Section E, Structure reports online |
19395796 | 20090501 | Quality evaluation of quick-frozen biological specimens by simultaneous microbeam SAXS/WAXS recordings | Journal of synchrotron radiation |
17164529 | 20070101 | Crystallization of protein-ligand complexes | Acta crystallographica. Section D, Biological crystallography |
17184530 | 20061221 | Identification of microspore-active promoters that allow targeted manipulation of gene expression at early stages of microgametogenesis in Arabidopsis | BMC plant biology |
15911615 | 20050729 | A new arrangement of (beta/alpha)8 barrels in the synthase subunit of PLP synthase | The Journal of biological chemistry |
Complexity: | 45.8 |
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: | 4 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Oxygen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS