| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 3-methyl-7-propan-2-ylbicyclo[2.2.2]oct-3-ene-6-carbaldehyde |
| InChI : | InChI=1/C13H20O/c1-8(2)12-6-10-5-11(7-14)13(12)4-9(10)3/h7-8,11-13H,4-6H2,1-3H3 |
| InChIKey : | BNAYNPKNDLTBTJ-UHFFFAOYAI |
| SMILES : | CC1=C2CC(C(C1)C(C2)C(C)C)C=O |
| (EINECS) number : | 299-795-7 |
| cas number : | 93904-56-4 |
| molar refractivity : | 57.85 ± 0.4 cm3 |
| parachor : | 472.5 ± 6.0 cm3 |
| index of refraction : | 1.494 ± 0.03 |
| surface tension : | 32.1 ± 5.0 dyne/cm |
| density : | 0.96 ± 0.1 g/cm3 |
| polarizability : | 22.93 ± 0.5 10-24cm3 |
| xlogp : | 3.50 |
| molecular weight : | 192.2973000 |
| formula : | C13 H20 O |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | 2912.29 |
| organoleptics : | |
| odor type : | aldehydic |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | fatty green metallic aldehyic |
| properties : | |
| appearence : | pale yellow to yellow clear liquid |
| assay : | 95.00 - 100.00 % sum of isomers
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95800 - 0.96200 @ 20.00 °C.
|
| pounds per gallon - calc. : | 7.981 to 8.014
|
| refractive index : | 1.48500 - 1.48800 @ 20.00 °C.
|
| boiling point : | 269.00 - 270.00 °C. @ 760.00 mm Hg
|
| logp : | 4.00 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
| | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | 208.00 °F. TCC ( 97.78 °C. )
|
| | |
| recommendation for fresh carbaldehyde usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
|
| | |
| recommendation for fresh carbaldehyde usage levels up to : |
| | not for flavor use.
|
| | |
| safety links : | |
| (EINECS) number : | 299-795-7 |
| chemidplus : | 068259314 |
| epa-srs : | 93904-56-4 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 686605 |
| | |