Methyl nonanoate - CAS 1731-84-6
Catalog: |
BB012890 |
Product Name: |
Methyl nonanoate |
CAS: |
1731-84-6 |
Synonyms: |
methyl nonanoate |
IUPAC Name: | methyl nonanoate |
Description: | Methyl Nonanoate can be used to synthesize vanillyl nonanoate, a capsinoid. Capsinoids are found in chili peppers and exhibit anti‑obesity, anti‑hypertension, anti‑diabetes and anti‑inflammatory properties. Environmental contaminants; food contaminants. |
Molecular Weight: | 172.26 |
Molecular Formula: | C10H20O2 |
Canonical SMILES: | CCCCCCCCC(=O)OC |
InChI: | InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3 |
InChI Key: | IJXHLVMUNBOGRR-UHFFFAOYSA-N |
Boiling Point: | 210.3 °C at 760 mmHg |
Melting Point: | 30°C |
Flash Point: | 84.4°C |
Purity: | 99%+ |
Density: | 0.874 g/cm3 |
Appearance: | Colorless liquid |
Storage: | -20°C |
MDL: | MFCD00009569 |
LogP: | 2.91000 |
Refractive Index: | n20/D 1.421(lit.) |
Vapor Pressure: | 0.21 [mmHg] |
Publication Number | Title | Priority Date |
US-2020237657-A1 | Nasal moisturizer | 20190128 |
EP-3711497-A1 | Seamless capsule, and filter and smoking device including same | 20190118 |
US-2020397038-A1 | Seamless capsule, filter and smoking equipment containing same | 20190118 |
WO-2020148924-A1 | Seamless capsule, and filter and smoking device including same | 20190118 |
WO-2020148954-A1 | Seamless capsule, and filter and smoking device including same | 20190118 |
PMID | Publication Date | Title | Journal |
21885054 | 20111201 | Solubilisation of different medium chain esters in zwitterionic surfactant solutions--effects on phase behaviour and structure | Journal of colloid and interface science |
21364047 | 20110201 | Key aroma components of a dry-cured sausage with high fat content (sobrassada) | Food science and technology international = Ciencia y tecnologia de los alimentos internacional |
21818287 | 20110101 | Comparative analysis of the volatile fraction of fruit juice from different Citrus species | PloS one |
20202801 | 20100615 | Production of a new glycolipid biosurfactant from marine Nocardiopsis lucentensis MSA04 in solid-state cultivation | Colloids and surfaces. B, Biointerfaces |
20360970 | 20100329 | Microbial community structure of leaf-cutter ant fungus gardens and refuse dumps | PloS one |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.146329876 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.146329876 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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