Methyl tridecanoate - CAS 1731-88-0
Catalog: |
BB012892 |
Product Name: |
Methyl tridecanoate |
CAS: |
1731-88-0 |
Synonyms: |
Tridecanoic acid, methyl ester; Methyl n-tridecanoate; NSC 163375 |
Related CAS: | 61788-59-8
|
IUPAC Name: | methyl tridecanoate |
Description: | Methyl tridecanoate is an esterified form of tridecanoic acid. Methyl tridecanoate moderately inhibits β-amyloid aggregation. |
Molecular Weight: | 228.37 |
Molecular Formula: | C14H28O2 |
Canonical SMILES: | CCCCCCCCCCCCC(=O)OC |
InChI: | InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3 |
InChI Key: | JNDDPBOKWCBQSM-UHFFFAOYSA-N |
Boiling Point: | 289.6 °C at 760 mmHg |
Density: | 0.864 g/cm3 |
Appearance: | Liquid |
LogP: | 4.47040 |
Vapor Pressure: | 0.00129 [mmHg] |
GHS Hazard Statement: | H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P273, P280, P305+P351+P338, P310, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113433248-A | Preparation method of gas chromatographic column and chromatograph device with same | 20210719 |
CN-112138016-A | Traditional Chinese medicine composition for preventing damp-heat diarrhea | 20201102 |
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AU-2020102961-A4 | A quantitative method for determining fatty acid methyl ester in soils and its application | 20201022 |
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PMID | Publication Date | Title | Journal |
22349344 | 20120401 | Accurate and reliable quantification of total microalgal fuel potential as fatty acid methyl esters by in situ transesterification | Analytical and bioanalytical chemistry |
22238638 | 20120101 | Functional evolution of duplicated odorant-binding protein genes, Obp57d and Obp57e, in Drosophila | PloS one |
22043295 | 20110101 | Examination of triacylglycerol biosynthetic pathways via de novo transcriptomic and proteomic analyses in an unsequenced microalga | PloS one |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.208930132 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.208930132 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.3 |
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