| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate |
| InChI : | InChI=1/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9- |
| InChIKey : | BYCHQEILESTMQU-XFXZXTDPBO |
| SMILES : | CCC(=O)OC\C=C(\C)/CCC=C(C)C |
| (EINECS) number : | 203-345-7 |
| cas number : | 105-91-9 |
| fema number : | 2777 |
| coe number : | 509 |
| jecfa number : | 63 |
| fl. number : | 09.169 |
| molar refractivity : | 63.85 ± 0.3 cm3 |
| parachor : | 540.8 ± 4.0 cm3 |
| index of refraction : | 1.459 ± 0.02 |
| surface tension : | 28.8 ± 3.0 dyne/cm |
| density : | 0.900 ± 0.06 g/cm3 |
| polarizability : | 25.31 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 210.3125800 |
| formula : | C13 H22 O2 |
|
|
| |
| |
| fda reg : | 172.515 |
h. number : | 2915.50.3000 |
| organoleptics : | |
| odor type : | fruity |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity jam |
| taste description³ : | at 15.00 ppm.
Green, fruity, floral, waxy, seedy and berry |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89800 - 0.90800 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.472 to 7.555
|
| refractive index : | 1.45300 - 1.46300 @ 20.00 °C.
|
| boiling point : | 233.00 °C. @ 760.00 mm Hg
|
| logp : | 4.64 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5000.00 mg/kg (Moreno, 1975f)
|
| Dermal Toxicity(LD50) : |
Skin-Rabbit >5.00 gm/kg
|
| Maximised Survey-derived Daily Intakes (MSDI) : | 3.70 (μg/capita/day) |
| | |
| flash point ( Deg. F. ) : | 230.00 °F. TCC ( 110.00 °C. )
|
| | |
| recommendation for neryl propionate usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
|
| | |
| recommendation for neryl propionate usage levels up to : |
| | 25.0000 ppm in the flavor.
|
| | |
| safety links : | |
| (EINECS) number : | 203-345-7 |
| chemidplus : | 000105919 |
| epa-srs : | 105-91-9 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 150874 |
| NIST Chemistry WebBook : | 1117483116 |
| | |
| reference : | Mosciano, Gerard P&F 18, No. 2, 38, (1993)³ |