| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 9-ethyl-1,4-dimethyl-8,10-dioxaspiro[5.5]undec-3-ene |
| InChI : | InChI=1/C13H22O2/c1-4-12-14-8-13(9-15-12)7-10(2)5-6-11(13)3/h5,11-12H,4,6-9H2,1-3H3 |
| InChIKey : | OIUVCPKUZFAQIY-UHFFFAOYAF |
| SMILES : | CCC1OCC2(CC(=CCC2C)C)CO1 |
| (EINECS) number : | 275-638-8 |
| cas number : | 71566-53-5 |
| molar refractivity : | 61.27 ± 0.4 cm3 |
| parachor : | 508.4 ± 6.0 cm3 |
| index of refraction : | 1.486 ± 0.03 |
| surface tension : | 32.4 ± 5.0 dyne/cm |
| density : | 0.98 ± 0.1 g/cm3 |
| polarizability : | 24.29 ± 0.5 10-24cm3 |
| xlogp : | 3.00 |
| molecular weight : | 210.3125800 |
| formula : | C13 H22 O2 |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium |
odor description :
at 100.00 %. | aromatic herbal natural celery cumin soil natural forest |
| substantivity : | 44 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 95.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98700 @ 25.00 °C.
|
| refractive index : | 1.47700 - 1.48100 @ 20.00 °C.
|
| boiling point : | 108.00 - 110.00 °C. @ 6.70 mm Hg
|
| logp : | 3.46 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Mouse >3.10 gm/kg
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | 200.00 °F. TCC ( 93.33 °C. )
|
| | |
| recommendation for celery undecene usage levels up to : | | | 2.0000 % in the fragrance concentrate.
|
| | |
| recommendation for celery undecene usage levels up to : | | | not for flavor use.
|
| | |
| safety links : | |
| (EINECS) number : | 275-638-8 |
| chemidplus : | 071566535 |
| epa-srs : | 71566-53-5 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 750254 |
| | |
|
| synonyms : |
| | celery undecene | | | corps celeri | | 9- | ethyl-1,4-dimethyl-8,10-dioxaspiro(5.5)undec-3-ene | | 3- | ethyl-11-methyl-2,4-dioxaspiro(5.5)undec-8-en | | 3- | ethyl-8,11(or 9,11)-dimethyl-2,4-dioxaspiro(5.5)undec-8-ene | | 3- | ethyl-8(9),11-dimethyl-2,4-dioxaspiro(5.5)undec-8-ene |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| stability : |
| | alkalis |
| (odor and/or flavor) used in : |
| | celery | | | forest | | | green | | | herbal | | | lavender | | | natural | | | woody |
| natural occurrence in : |
| not found in nature |
|