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| IUPAC name : | methyl octanoate |
| InChI : | InChI=1/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3 |
| InChIKey : | JGHZJRVDZXSNKQ-UHFFFAOYAP |
| SMILES : | CCCCCCCC(=O)OC |
| (EINECS) number : | 203-835-0 |
| cas number : | 111-11-5 |
| beilstein number : | 1752270 |
| fema number : | 2728 |
| coe number : | 398 |
| jecfa number : | 173 |
| fl. number : | 09.117 |
| molar refractivity : | 45.51 ± 0.3 cm3 |
| parachor : | 414.9 ± 4.0 cm3 |
| index of refraction : | 1.418 ± 0.02 |
| surface tension : | 27.8 ± 3.0 dyne/cm |
| density : | 0.876 ± 0.06 g/cm3 |
| polarizability : | 18.04 ± 0.5 10-24cm3 |
| xlogp : | 3.30 |
| molecular weight : | 158.2380200 |
| formula : | C9 H18 O2 |
| BioActivity Analysis : | 70149 |
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| fda reg : | unspecified |
h. number : | 2915.90.0000 |
| organoleptics : | |
| odor type : | waxy |
| odor strength : | medium |
odor description : at 100.00 %. | waxy green sweet orange aldehydic vegetable herbal |
| taste description³ : | at 20.00 ppm. Green, fruity, waxy, citrus, aldehydic and fatty |
| properties : | |
| appearence : | colorless clear oily liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87500 - 0.88100 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.281 to 7.331
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| refractive index : | 1.41400 - 1.42000 @ 20.00 °C.
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| boiling point : | 194.00 - 195.00 °C. @ 760.00 mm Hg
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| logp : | 3.32 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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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) : | 9.70 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 163.00 °F. TCC ( 72.78 °C. )
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| recommendation for methyl octanoate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for methyl octanoate usage levels up to : |
| | 40.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 203-835-0 |
| rtecs : | RH0778000 for 111-11-5 |
| chemidplus : | 000111115 |
| epa-srs : | 111-11-5 |
| dtp/nci : | 3710 |
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| other : | |
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| references : | |
| jecfa number : | 173 |
| fl. number : | 09.117 |
| pubchem : | 151215 |
| NIST Chemistry WebBook : | 4241206027 |
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| reference : | Mosciano, Gerard P&F 19, No. 3, 51, (1994)³ |