10-Undecenoic acid - CAS 112-38-9
Catalog: |
BB002957 |
Product Name: |
10-Undecenoic acid |
CAS: |
112-38-9 |
IUPAC Name: | undec-10-enoic acid |
Description: | 10-Undecylenic Acid, a long-chain fatty acid substance, could be used as a monomer in the polymerization and also a raw material in the syntheses of Pheromone (11Z)-hexadecenal. |
Molecular Weight: | 184.28 |
Molecular Formula: | C11H20O2 |
Canonical SMILES: | C=CCCCCCCCCC(=O)O |
InChI: | InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13) |
InChI Key: | FRPZMMHWLSIFAZ-UHFFFAOYSA-N |
Boiling Point: | 275°C |
Melting Point: | 23-25°C |
Flash Point: | 148°C |
Purity: | > 98 % |
Density: | 0.912 g/cm3 |
Solubility: | 10 mM in DMSO |
Appearance: | White to light yellow solid or colorless to pale yellow clear liquid |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00004442 |
LogP: | 3.37780 |
Refractive Index: | 1.447-1.448 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-11033516-B1 | Combination therapies with disulfiram | 20200918 |
WO-2021116503-A2 | Deuterated compounds | 20200602 |
US-10980756-B1 | Methods of treatment | 20200316 |
US-2021189444-A1 | Method of purifying cannabinoids from yeast fermentation broth | 20191220 |
WO-2021122971-A1 | Process for enzymatically preparing sugar esters and/or sugar alcohol esters | 20191220 |
PMID | Publication Date | Title | Journal |
27965148 | 20170401 | An in vitro skin sensitization assay termed EpiSensA for broad sets of chemicals including lipophilic chemicals and pre/pro-haptens | Toxicology in vitro : an international journal published in association with BIBRA |
26902505 | 20160501 | Antifungal effects of undecylenic acid on the biofilm formation of Candida albicans | International journal of clinical pharmacology and therapeutics |
26776224 | 20160101 | The Mechanistic Targets of Antifungal Agents: An Overview | Mini reviews in medicinal chemistry |
23956101 | 20131101 | A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development | Toxicological sciences : an official journal of the Society of Toxicology |
22947450 | 20121201 | Biosynthesis and characterization of polyhydroxyalkanoates by Pseudomonas guezennei from alkanoates and glucose | International journal of biological macromolecules |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.146329876 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.146329876 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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