| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate |
| InChI : | InChI=1/C13H22O2/c1-5-10-8-7-9-13(3,4)11(10)12(14)15-6-2/h8,11H,5-7,9H2,1-4H3 |
| InChIKey : | CQHUPYQUERYPML-UHFFFAOYAY |
| SMILES : | CCC1=CCCC(C1C(=O)OCC)(C)C |
| (EINECS) number : | 261-020-5 |
| cas number : | 57934-97-1 |
| molar refractivity : | 61.50 ± 0.3 cm3 |
| parachor : | 524.8 ± 6.0 cm3 |
| index of refraction : | 1.452 ± 0.02 |
| surface tension : | 28.1 ± 3.0 dyne/cm |
| density : | 0.923 ± 0.06 g/cm3 |
| polarizability : | 24.38 ± 0.5 10-24cm3 |
| xlogp : | 3.80 |
| molecular weight : | 210.3125800 |
| formula : | C13 H22 O2 |
|
|
| |
| |
| IUPAC name : | ethyl 2,3,6,6-tetramethylcyclohex-2-ene-1-carboxylate |
| InChI : | InChI=1/C13H22O2/c1-6-15-12(14)11-10(3)9(2)7-8-13(11,4)5/h11H,6-8H2,1-5H3 |
| InChIKey : | GUAPMIRFNRZYFI-UHFFFAOYAI |
| SMILES : | CCOC(=O)C1C(=C(CCC1(C)C)C)C |
| (EINECS) number : | 278-776-7 |
| cas number : | 77851-07-1 |
| molar refractivity : | 61.58 ± 0.3 cm3 |
| parachor : | 521.0 ± 6.0 cm3 |
| index of refraction : | 1.452 ± 0.02 |
| surface tension : | 27.1 ± 3.0 dyne/cm |
| density : | 0.921 ± 0.06 g/cm3 |
| polarizability : | 24.41 ± 0.5 10-24cm3 |
| xlogp : | 3.40 |
| molecular weight : | 210.3125800 |
| formula : | C13 H22 O2 |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | rose honey warm spicy fruity berry damascone |
| substantivity : | 20 Hour(s) |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 % sum of isomers
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.94000 - 0.94500 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.822 to 7.863
|
| refractive index : | 1.46000 - 1.46400 @ 20.00 °C.
|
| boiling point : | 102.00 - 103.00 °C. @ 11.00 mm Hg
|
| logp : | 4.90 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
| | |
| Oral Toxicity(LD50) : |
Oral-Rat 5000.00 mg/kg
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | 196.00 °F. TCC ( 91.11 °C. )
|
| | |
| recommendation for rose carboxylate usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
|
| | |
| recommendation for rose carboxylate usage levels up to : |
| | not for flavor use.
|
| | |
| safety links : | |
| (EINECS) number : | 261-020-5 |
| chemidplus : | 057934971 |
| epa-srs : | 57934-97-1 |
| | |
| (EINECS) number : | 278-776-7 |
| chemidplus : | 077851071 |
| epa-srs : | 77851-07-1 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 670900 |
| | |
| pubchem : | 743888 |
| | |