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| IUPAC name : | (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid |
| InChI : | InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-/f/h19H |
| InChIKey : | DTOSIQBPPRVQHS-PDBXOOCHBH |
| SMILES : | CCC=CCC=CCC=CCCCCCCCC(=O)O |
| (EINECS) number : | 207-334-8 |
| cas number : | 463-40-1 |
| fema number : | 3380 |
| coe number : | 695 |
| fl. number : | 08.106 |
| molar refractivity : | 87.17 ± 0.3 cm3 |
| parachor : | 731.7 ± 4.0 cm3 |
| index of refraction : | 1.490 ± 0.02 |
| surface tension : | 34.8 ± 3.0 dyne/cm |
| density : | 0.924 ± 0.06 g/cm3 |
| polarizability : | 34.56 ± 0.5 10-24cm3 |
| xlogp : | 5.90 |
| molecular weight : | 278.4296000 |
| formula : | C18 H30 O2 |
| BioActivity Analysis : | 68740 |
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| export tariff code : | 2916.15.1000 |
| fda reg : | unspecified |
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organoleptics :
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properties :
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| appearence : | colorless to yellow clear liquid |
| assay : | 90.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.91000 - 0.92000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.572 to 7.655
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| refractive index : | 1.47900 - 1.48100 @ 20.00 °C.
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| melting point : | -11.00 - -10.00 °C. @ 760.00 mm Hg
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| boiling point : | 230.00 - 231.00 °C. @ 1.00 mm Hg
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safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 110.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
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safety links :
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| (EINECS) number : | 207-334-8 |
| chemidplus : | 000463401 |
| epa-srs : | 463-40-1 |
| dtp/nci : | 2042 |
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other :
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references :
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| fl. number : | 08.106 |
| pubchem : | 68740 |
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| synonyms : |
| | linolenic acid | | alpha- | linolenic acid | | | octadeca-9,12,15-trienoic acid | | (Z,Z,Z)- | octadeca-9,12,15-trienoic acid | | (Z,Z,Z)-9,12,15- | octadecatrienoic acid | | all cis-9,12,15- | octadecatrienoic acid | | cis-delta9,12,15- | octadecatrienoic acid | | cis,cis,cis-9,12,15- | octadecatrienoic acid |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| (odor and/or flavor) used in : |
| | antistatic agents | | | emollients |
| natural occurrence in : |
| data page | champaca concrete @ 0.50% |
| data page | genet absolute @ 26.00% |
| rue seed |
| data page | thyme oil spain @ 2.45% |
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