| |
| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. |
| |
|
|
| IUPAC name : | 3-hydroxynonyl acetate |
| InChI : | InChI=1/C11H22O3/c1-3-4-5-6-7-11(13)8-9-14-10(2)12/h11,13H,3-9H2,1-2H3 |
| InChIKey : | RTYFAKSWXDNPPU-UHFFFAOYAL |
| SMILES : | CCCCCCC(CCOC(=O)C)O |
| cas number : | 1322-17-4 |
| (EINECS) number : | 215-332-3 |
| fema number : | 2783 |
| coe number : | 2075 |
| jecfa number : | 605 |
| fl. number : | 09.225 |
| molar refractivity : | 56.27 ± 0.3 cm3 |
| parachor : | 508.6 ± 4.0 cm3 |
| index of refraction : | 1.444 ± 0.02 |
| surface tension : | 33.4 ± 3.0 dyne/cm |
| density : | 0.956 ± 0.06 g/cm3 |
| polarizability : | 22.31 ± 0.5 10-24cm3 |
| XlogP : | 3.00 |
| molecular weight : | 202.2905800 (IUPAC) |
| formula : | C11 H22 O3 |
| BioActivity Analysis : | 91740 |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | 2915.39.9050 |
| fda reg : | 172.515 |
Suppliers :
|
| Berje : | Nonane Diacetate
(Jasmal™) |
| John D. Walsh : | Jasmopyrane Forte
|
| Moellhausen : | jasmonyl
artifical kosher |
| Penta : | 1,3-nonanediol acetate
|
| SAFC Global® : | 1,3-Nonanediol acetate
≥80%, mixed esters
Odor: jasmine; herbaceous |
organoleptics :
|
| odor type : | floral |
| odor strength : | medium |
odor description:
at 100.00 %. | fresh sweet oily floral jasmin watery
Luebke, William tgsc, (1984) |
| odor sample from : | Givaudan Corporation |
| substantivity : | 168 Hour(s) |
properties :
|
| appearence : | colorless to pale yellow clear liquid |
| assay : | 80.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.94600 to 0.96100 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.872 to 7.996
|
| refractive index : | 1.43600 to 1.44800 @ 20.00 °C.
|
| boiling point : | 265.00 °C. @ 760.00 mm Hg
|
| acid value : | 1.00 max. KOH/g
|
| vapor pressure : | 0.09500 mm/Hg @ 25.00 °C. |
| flash point : | 230.00 °F. TCC ( 110.00 °C. )
|
| logP (o/w) : | 2.77 |
safety :
|
| most important hazard(s) : | None - None found. |
| |
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
|
| Human experience : | 8 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : | |
| |
Not determined
|
| Dermal Toxicity(LD50) : | |
| |
Not determined
|
| Inhalation Toxicity(LC50) : | |
| |
Not determined
|
| |
safety in use :
|
| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 1.80 (μg/capita/day) |
| |
| recommendation for jasmin acetate fragrance usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
|
| recommendation for jasmin acetate flavor usage levels up to : |
| | 8.0000 ppm in the flavor.
|
safety references :
|
| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| |
| WGK Germany : | 2 |
| |
| |
| |
| |
3-hydroxynonyl acetate |
| (EINECS) number : | 215-332-3 |
| chemidplus : | 001322174 |
| EPA Substance Registry Services : | 1322-17-4 |
| dtp/nci : | 33721 |
references :
|
| |
3-hydroxynonyl acetate |
| fl. number : | 09.225 |
| jecfa number : | 605 |
| pubchem : | 91740 |
Cosmetics :
|
| Cosmetic uses : |
perfuming agents
|
other :
|
| CosIng : | cosmetic data |
| FDA Everything Added to Food in the United States (EAFUS) | View |