| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | butyl 3-methylbutanoate |
| InChI : | InChI=1/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3 |
| InChIKey : | AYWJSCLAAPJZEF-UHFFFAOYAH |
| SMILES : | CCCCOC(=O)CC(C)C |
| (EINECS) number : | 203-654-7 |
| cas number : | 109-19-3 |
| beilstein number : | 1752803 |
| fema number : | 2218 |
| coe number : | 444 |
| jecfa number : | 198 |
| fl. number : | 09.449 |
| molar refractivity : | 45.47 ± 0.3 cm3 |
| parachor : | 412.3 ± 4.0 cm3 |
| index of refraction : | 1.416 ± 0.02 |
| surface tension : | 26.9 ± 3.0 dyne/cm |
| density : | 0.874 ± 0.06 g/cm3 |
| polarizability : | 18.02 ± 0.5 10-24cm3 |
| xlogp : | 2.90 |
| molecular weight : | 158.2380200 |
| formula : | C9 H18 O2 |
|
|
| |
| |
| fda reg : | 172.515 |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description : at 100.00 %. | apple pear fruit sweet pineapple green peach |
| taste description³ : | at 10.00 ppm. Fruity, sweet, ripe pineapple, green with peach nuances |
| substantivity : | 28 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 99.00 - 100.00 %
|
| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.85600 - 0.85900 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.123 to 7.148
|
| refractive index : | 1.40700 - 1.41100 @ 20.00 °C.
|
| boiling point : | 174.00 - 175.00 °C. @ 760.00 mm Hg
|
| acid value : | 1.00 max. KOH/g
|
| logp : | 3.18 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Moreno,1978b)
Oral-Rabbit 8230.00 mg/kg (Munch,1972)
|
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
|
| Maximised Survey-derived Daily Intakes (MSDI) : | 94.00 (μg/capita/day) |
| | |
| flash point ( Deg. F. ) : | 132.00 °F. TCC ( 55.56 °C. )
|
| | |
| recommendation for butyl isovalerate usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
|
| | |
| recommendation for butyl isovalerate usage levels up to : |
| | 50.0000 ppm in the flavor.
|
| | |
| safety links : | |
| (EINECS) number : | 203-654-7 |
| rtecs : | NY1502000 for 109-19-3 |
| chemidplus : | 000109193 |
| epa-srs : | 109-19-3 |
| dtp/nci : | 6187 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 151095 |
| NIST Chemistry WebBook : | 1089541780 |
| | |
| reference : | Mosciano, Gerard P&F 24, No. 2, 49, (1999)³ |