| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 3-methylbutyl pentanoate |
| InChI : | InChI=1/C10H20O2/c1-4-5-6-10(11)12-8-7-9(2)3/h9H,4-8H2,1-3H3 |
| InChIKey : | UBLAMKHIFZBBSS-UHFFFAOYAS |
| SMILES : | CCCCC(=O)OCCC(C)C |
| (EINECS) number : | 218-081-8 |
| cas number : | 2050-09-1 |
| coe number : | 648 |
| fl. number : | 09.198 |
| molar refractivity : | 50.11 ± 0.3 cm3 |
| parachor : | 452.1 ± 4.0 cm3 |
| index of refraction : | 1.421 ± 0.02 |
| surface tension : | 27.4 ± 3.0 dyne/cm |
| density : | 0.872 ± 0.06 g/cm3 |
| polarizability : | 19.86 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 172.2646000 |
| formula : | C10 H20 O2 |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | ripe apple |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85800 - 0.86700 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.139 to 7.214
|
| refractive index : | 1.41000 - 1.41800 @ 20.00 °C.
|
| boiling point : | 185.00 - 186.00 °C. @ 760.00 mm Hg
|
| logp : | 3.71 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | 149.00 °F. TCC ( 65.00 °C. )
|
| | |
| recommendation for isoamyl valerate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
|
| | |
| safety links : | |
| (EINECS) number : | 218-081-8 |
| chemidplus : | 002050091 |
| epa-srs : | 2050-09-1 |
| dtp/nci : | 7006 |
| | |
| other : | |
| |
|
| references : | |
| fl. number : | 09.198 |
| pubchem : | 217125 |
| NIST Chemistry WebBook : | 905959931 |
| | |