1,9-Nonanediol - CAS 3937-56-2
Catalog: |
BB023949 |
Product Name: |
1,9-Nonanediol |
CAS: |
3937-56-2 |
Synonyms: |
nonane-1,9-diol |
IUPAC Name: | nonane-1,9-diol |
Description: | 1,9-Nonanediol (CAS# 3937-56-2) is found to be a general anesthetic that can inhibit the firefly luciferase enzyme from Photinus pyralis by competing with its normal substrate firefly luciferin. 1,9-Nonanediol can also inhibit the bacterial luciferase enzyme from Vibrio Harveyi by competing with the substrate n-decanal. |
Molecular Weight: | 160.25 |
Molecular Formula: | C9H20O2 |
Canonical SMILES: | C(CCCCO)CCCCO |
InChI: | InChI=1S/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2 |
InChI Key: | ALVZNPYWJMLXKV-UHFFFAOYSA-N |
Boiling Point: | 171 °C / 20 mmHg |
Melting Point: | 46 °C |
Flash Point: | 235.4 °CF |
Purity: | > 98.0 % (GC) |
Density: | 0.95 g/cm3 |
Appearance: | White to almost white powder to crystal |
MDL: | MFCD00002991 |
LogP: | 1.70170 |
GHS Hazard Statement: | H315 (33.33%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, 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 |
22113370 | 20111101 | Identification and field evaluation of sex pheromone components of the pear barkminer moth, Spulerina astaurota | Journal of chemical ecology |
20232886 | 20100412 | Functional thermoplastics from linear diols and diisocyanates produced entirely from renewable lipid sources | Biomacromolecules |
20131900 | 20100303 | Iridium-catalyzed alpha-alkylation of acetates with primary alcohols and diols | Journal of the American Chemical Society |
19265385 | 20090401 | Automated potentiometric titrations in KCl/water-saturated octanol: method for quantifying factors influencing ion-pair partitioning | Analytical chemistry |
19521918 | 20090101 | New synthesis of nematocidal natural products dithiocynates thiocyanatin A and 1,8,16-trihydroxyhexadecane | Natural product research |
Complexity: | 56.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.146329876 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.146329876 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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