1,9-Nonanediol

Product Information

Molecular Formula:
C9H20O2
Molecular Weight:
160.25
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.
Synonyms
nonane-1,9-diol
IUPAC Name
nonane-1,9-diol
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 ℃ / 20 mmHg
Melting Point
46 ℃
Flash Point
235.4 ℃F
Purity
> 98.0 % (GC)
Density
0.95 g/cm3
Appearance
White to almost white powder to crystal
LogP
1.70170

Safety Information

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

Computed Properties

XLogP3
2.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
8
Exact Mass
160.146329876 g/mol
Monoisotopic Mass
160.146329876 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
56.6
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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JP-2022027992-A Wiring board and its manufacturing method 2021-12-20
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CN-114163603-A Polyurethane microporous elastomer and preparation method and application thereof 2021-12-13
JP-2022031343-A Photo-curing nail dressing 2021-12-13
JP-2022027803-A Moisture-curable one-component adhesive composition and laminate 2021-11-29
JP-2022028891-A Packaging materials and products 2021-11-29

Literatures

PMID Publication Date Title Journal
22113370 2011-11-01 Identification and field evaluation of sex pheromone components of the pear barkminer moth, Spulerina astaurota Journal of chemical ecology
20232886 2010-04-12 Functional thermoplastics from linear diols and diisocyanates produced entirely from renewable lipid sources Biomacromolecules
20131900 2010-03-03 Iridium-catalyzed alpha-alkylation of acetates with primary alcohols and diols Journal of the American Chemical Society
19265385 2009-04-01 Automated potentiometric titrations in KCl/water-saturated octanol: method for quantifying factors influencing ion-pair partitioning Analytical chemistry
19521918 2009-01-01 New synthesis of nematocidal natural products dithiocynates thiocyanatin A and 1,8,16-trihydroxyhexadecane Natural product research
17566337 2007-05-01 Potential sources of background contaminants in solid phase extraction and microextraction Journal of separation science
16495670 2006-02-01 Synthesis and characterization of 3,13- and 2,13-octadecadienyl compounds for identification of the sex pheromone secreted by a clearwing moth, Nokona pernix Bioscience, biotechnology, and biochemistry
16398489 2006-01-01 Polycondensation of dicarboxylic acids and diols in water catalyzed by surfactant-combined catalysts and successive chain extension Biomacromolecules
14758017 2004-02-01 Simple synthesis of beta-D-glycopyranosides using beta-glycosidase from almonds Chemical & pharmaceutical bulletin
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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