| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | (4-formyl-2-methoxyphenyl) acetate |
| InChI : | InChI=1/C10H10O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-6H,1-2H3 |
| InChIKey : | PZSJOBKRSVRODF-UHFFFAOYAK |
| SMILES : | CC(=O)OC1=C(C=C(C=C1)C=O)OC |
| (EINECS) number : | 212-920-1 |
| cas number : | 881-68-5 |
| fema number : | 3108 |
| coe number : | 225 |
| jecfa number : | 890 |
| fl. number : | 09.035 |
| molar refractivity : | 51.02 ± 0.3 cm3 |
| parachor : | 410.5 ± 4.0 cm3 |
| index of refraction : | 1.539 ± 0.02 |
| surface tension : | 40.5 ± 3.0 dyne/cm |
| density : | 1.193 ± 0.06 g/cm3 |
| polarizability : | 20.22 ± 0.5 10-24cm3 |
| xlogp : | 1.20 |
| molecular weight : | 194.1840000 |
| formula : | C10 H10 O4 |
| BioActivity Analysis : | 74191 |
|
|
| |
| |
| fda reg : | 172.515 |
h. number : | 2916.35.1500 |
| organoleptics : | |
| odor type : | vanilla |
| odor strength : | medium |
odor description : at 100.00 %. | sweet creamy vanilla powdery heliotropin |
| taste description³ : | at 40.00 ppm. Sweet, vanilla, creamy, powdery with a balsamic beany nuance |
| properties : | |
| appearence : | white crystals |
| assay : | 98.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| melting point : | 77.00 - 79.00 °C. @ 760.00 mm Hg
|
| boiling point : | 287.00 - 288.00 °C. @ 760.00 mm Hg
|
| logp : | 1.10 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
| | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | 256.00 °F. TCC ( 124.44 °C. )
|
| | |
| recommendation for vanillyl acetate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
|
| | |
| recommendation for vanillyl acetate usage levels up to : |
| | 40.0000 ppm in the flavor.
|
| | |
| safety links : | |
| (EINECS) number : | 212-920-1 |
| chemidplus : | 000881685 |
| epa-srs : | 881-68-5 |
| dtp/nci : | 8499 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 197492 |
| NIST Chemistry WebBook : | 4144441378 |
| | |
| reference : | Mosciano, Gerard P&F 19, No. 2, 55, (1994)³ |