mono-Methyl azelate - CAS 2104-19-0
Catalog: |
BB016562 |
Product Name: |
mono-Methyl azelate |
CAS: |
2104-19-0 |
Synonyms: |
9-methoxy-9-oxononanoic acid |
IUPAC Name: | 9-methoxy-9-oxononanoic acid |
Description: | mono-Methyl azelate (CAS# 2104-19-0) is a compound useful in organic synthesis. |
Molecular Weight: | 202.25 |
Molecular Formula: | C10H18O4 |
Canonical SMILES: | COC(=O)CCCCCCCC(=O)O |
InChI: | InChI=1S/C10H18O4/c1-14-10(13)8-6-4-2-3-5-7-9(11)12/h2-8H2,1H3,(H,11,12) |
InChI Key: | VVWPSAPZUZXYCM-UHFFFAOYSA-N |
Boiling Point: | 159-160 °C / 3 mmHg (lit.) |
Density: | 1.054 g/cm3 |
MDL: | MFCD00004431 |
LogP: | 1.97470 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112826846-A | Appeasing pheromone for cats and preparation method and application thereof | 20201231 |
CN-112079717-A | Method for synthesizing monomethyl azelate by catalyzing epoxy methyl oleate with ionic liquid | 20200902 |
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WO-2021119571-A1 | Pde4 inhibitors, pharmaceutical compositions, and therapeutic applications | 20191212 |
WO-2021095876-A1 | Lipid composition | 20191115 |
PMID | Publication Date | Title | Journal |
16706512 | 20060525 | Regio- and stereospecific syntheses and nitric oxide donor properties of (E)-9- and (E)-10-nitrooctadec-9-enoic acids | Organic letters |
15938150 | 20050601 | Synthesis of a photoactivatable probe of the anandamide re-uptake | Natural product research |
12123365 | 20020725 | Total synthesis of (-)-minquartynoic acid: an anti-cancer, anti-HIV natural product | Organic letters |
Complexity: | 177 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.12050905 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.12050905 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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