| |
| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. |
| |
|
|
| IUPAC Name - | (E)-dec-6-enoic acid |
| InChI - | InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-5H,2-3,6-9H2,1H3,(H,11,12)/b5-4+ |
| InChIKey - | IZOFWCYKCWUJBY-SNAWJCMRBD |
| SMILES - | CCC\C=C\CCCCC(=O)O |
| CAS Number : | 85392-04-7 |
| (EINECS) Number : | 286-862-0 |
| FEMA Number : | 3742 |
| Molar Refractivity : | 49.99 ± 0.3 cm3 (est) |
| Parachor : | 439.0 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.462 ± 0.02 (est) |
| Surface Tension : | 33.9 ± 3.0 dyne/cm (est) |
| Density : | 0.936 ± 0.06 g/cm3 (est) |
| Polarizability : | 19.82 ± 0.5 10-24cm3 (est) |
| XlogP : | 3.60 (est) |
| Molecular Weight : | 170.2487200 (IUPAC) (PT) (112) |
| Formula : | C10 H18 O2 |
| NMR Predictor : | Predict |
|
|
| |
| |
| Category : | flavoring agents |
EU / EUROPA / FDA / JECFA Information :
|
| FDA Mainterm : | 6-DECENOIC ACID. |
Organoleptics :
|
| Odor Strength : | high , recommend smelling in a 10.00 % solution or less |
Odor Description:
| milky buttery |
Properties :
|
| Assay : | 90.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| Boiling Point : | 270.00 to 272.00 °C. @ 760.00 mm Hg
|
| Flash Ppoint : | 339.00 °F. TCC ( 170.56 °C. )
|
| logP (o/w) : | 3.52 |
Safety :
|
| Oral Toxicity(LD50) : | |
| |
Not determined
|
| Dermal Toxicity(LD50) : | |
| |
Not determined
|
| Inhalation Toxicity(LC50) : | |
| |
Not determined
|
| |
Safety in Use :
|
| Category : | flavoring agents |
| |
| Recommendation for 6-decenoic acid fragrance usage levels up to : |
| | not for fragrance use.
|
Safety References :
|
| EPI System : | view |
| EPA Chem. Sub. Inventory : | Yes |
| |
| |
| |
| | (E)-dec-6-enoic acid |
| (EINECS) Number : | 286-862-0 |
| Chemidplus : | 085392047 |
| EPA Substance Registry Services : | 85392-04-7 |
References :
|
| | (E)-dec-6-enoic acid |
| Pubchem : | 199627 |
Other :
|
| FDA Everything Added to Food in the United States (EAFUS) | View |