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| IUPAC name : | octyl 2-methylpropanoate |
| InChI : | InChI=1/C12H24O2/c1-4-5-6-7-8-9-10-14-12(13)11(2)3/h11H,4-10H2,1-3H3 |
| InChIKey : | PQCYCHFQWMNQRJ-UHFFFAOYAF |
| SMILES : | CCCCCCCCOC(=O)C(C)C |
| (EINECS) number : | 203-651-0 |
| cas number : | 109-15-9 |
| fema number : | 2808 |
| coe number : | 593 |
| jecfa number : | 192 |
| fl. number : | 09.473 |
| molar refractivity : | 59.37 ± 0.3 cm3 |
| parachor : | 531.6 ± 4.0 cm3 |
| index of refraction : | 1.428 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.869 ± 0.06 g/cm3 |
| polarizability : | 23.53 ± 0.5 10-24cm3 |
| xlogp : | 4.40 |
| molecular weight : | 200.3177600 |
| formula : | C12 H24 O2 |
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| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | waxy |
| odor strength : | medium |
odor description :
at 100.00 %. | waxy soapy aldehydic green earthy creamy |
| taste description³ : | at 30.00 ppm.
creamy, waxy, fruity, earthy, fatty |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.85300 - 0.85800 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.098 to 7.139
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| refractive index : | 1.42000 - 1.42500 @ 20.00 °C.
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| boiling point : | 236.00 - 238.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.78 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Levenstein, 1974)
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| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
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| Maximised Survey-derived Daily Intakes (MSDI) : | 11.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 206.00 °F. TCC ( 96.67 °C. )
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| recommendation for octyl isobutyrate usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for octyl isobutyrate usage levels up to : |
| | 30.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 203-651-0 |
| rtecs : | UA2466375 for 109-15-9 |
| chemidplus : | 000109159 |
| epa-srs : | 109-15-9 |
| dtp/nci : | 72024 |
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| other : | |
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| references : | |
| pubchem : | 197252 |
| NIST Chemistry WebBook : | 3207615994 |
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| reference : | Mosciano, Gerard P&F 15, No. 2, 69, (1990)³ |