Methyl linolenate - CAS 301-00-8
Catalog: |
BB020453 |
Product Name: |
Methyl linolenate |
CAS: |
301-00-8 |
Synonyms: |
methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate |
IUPAC Name: | methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate |
Description: | Methyl linolenate, a polyunsaturated fattly acid (PUFA), is an autoxidation product that is used to study the mechanisms and prevention of oxidation/peroxidation of unsaturated fatty acids. |
Molecular Weight: | 292.46 |
Molecular Formula: | C19H32O2 |
Canonical SMILES: | CCC=CCC=CCC=CCCCCCCCC(=O)OC |
InChI: | InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10- |
InChI Key: | DVWSXZIHSUZZKJ-YSTUJMKBSA-N |
Boiling Point: | 182 °C |
Melting Point: | -57 °C |
Flash Point: | 101.4°C |
Purity: | >70.0%(GC) |
Density: | 0.8982 g/cm3 |
Solubility: | Soluble in DMSO |
Appearance: | Colorless clear liquid |
Storage: | Store in a cool and dry place and at 0 - 4 °C for short term (days to weeks) or -58 °C for long term (months to years). |
MDL: | MFCD00135851 |
LogP: | 5.74890 |
Refractive Index: | 1.475 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P317, P362+P364, P391, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22548242 | 20121101 | Activity of compounds isolated from Baccharis dracunculifolia D.C. (Asteraceae) against Paracoccidioides brasiliensis | Medical mycology |
22224292 | 20111101 | Antimicrobial investigation of Linum usitatissimum for the treatment of acne | Natural product communications |
22224303 | 20111101 | Antimicrobial and antioxidant activities of the flower essential oil of Halimodendron halodendron | Natural product communications |
21061607 | 20100901 | [Autooxidation of a mixture of lemon essential oils, methyl linolenoate, and methyl oleinate] | Prikladnaia biokhimiia i mikrobiologiia |
20231090 | 20100801 | One-pot process combining transesterification and selective hydrogenation for biodiesel production from starting material of high degree of unsaturation | Bioresource technology |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 3 |
Exact Mass: | 292.240230259 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.240230259 |
Rotatable Bond Count: | 14 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.2 |
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