| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | propyl 2-methylpropanoate |
| InChI : | InChI=1/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey : | AZFUASHXSOTBNU-UHFFFAOYAO |
| SMILES : | CCCOC(=O)C(C)C |
| (EINECS) number : | 211-417-4 |
| cas number : | 644-49-5 |
| fema number : | 2936 |
| coe number : | 289 |
| jecfa number : | 187 |
| fl. number : | 09.414 |
| molar refractivity : | 36.21 ± 0.3 cm3 |
| parachor : | 332.7 ± 4.0 cm3 |
| index of refraction : | 1.404 ± 0.02 |
| surface tension : | 25.5 ± 3.0 dyne/cm |
| density : | 0.879 ± 0.06 g/cm3 |
| polarizability : | 14.35 ± 0.5 10-24cm3 |
| xlogp : | 1.60 |
| molecular weight : | 130.1848600 |
| formula : | C7 H14 O2 |
|
|
| |
| |
| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet ripe fruity tropical melon berry |
| taste description³ : | at 5.00 - 15.00 ppm.
Sweet, fruity, with ripe tropical, tutti frutti and citrus melon nuances |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.86000 - 0.86600 @ 20.00 °C.
|
| pounds per gallon - calc. : | 7.164 to 7.214
|
| refractive index : | 1.39200 - 1.39700 @ 20.00 °C.
|
| boiling point : | 133.00 - 134.00 °C. @ 760.00 mm Hg
|
| boiling point : | 59.00 - 60.00 °C. @ 50.00 mm Hg
|
| logp : | 2.26 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
| | |
| Oral Toxicity(LD50) : |
Oral-Rat 15000.00 mg/kg (Jenner et al., 1964)
|
| Dermal Toxicity(LD50) : |
Not determined
|
| Maximised Survey-derived Daily Intakes (MSDI) : | 15.00 (μg/capita/day) |
| | |
| flash point ( Deg. F. ) : | 80.00 °F. TCC ( 26.67 °C. )
|
| | |
| recommendation for propyl isobutyrate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
|
| | |
| recommendation for propyl isobutyrate usage levels up to : |
| | 25.0000 ppm in the flavor.
|
| | |
| safety links : | |
| (EINECS) number : | 211-417-4 |
| chemidplus : | 000644495 |
| epa-srs : | 644-49-5 |
| dtp/nci : | 406702 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 155895 |
| NIST Chemistry WebBook : | 1688296260 |
| | |
| reference : | Mosciano, Gerard P&F 26, No. 2, 40, (2001)³ |