| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 4-(2,2,6-trimethylcyclohexyl)butan-2-yl acetate |
| InChI : | InChI=1/C15H28O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h11-12,14H,6-10H2,1-5H3 |
| InChIKey : | OAKWLQFVIYUNRW-UHFFFAOYAU |
| SMILES : | CC1CCCC(C1CCC(C)OC(=O)C)(C)C |
| (EINECS) number : | 271-435-3 |
| cas number : | 68555-59-9 |
| molar refractivity : | 71.29 ± 0.3 cm3 |
| parachor : | 627.9 ± 4.0 cm3 |
| index of refraction : | 1.436 ± 0.02 |
| surface tension : | 28.2 ± 3.0 dyne/cm |
| density : | 0.882 ± 0.06 g/cm3 |
| polarizability : | 28.26 ± 0.5 10-24cm3 |
| xlogp : | 6.10 |
| molecular weight : | 240.3816200 |
| formula : | C15 H28 O2 |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | 2915.39.9050 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | medium |
odor description :
at 100.00 %. | fruity floral berry |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 96.00 - 100.00 % sum of isomers
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.92000 - 0.93000 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.655 to 7.739
|
| refractive index : | 1.45300 - 1.46300 @ 20.00 °C.
|
| boiling point : | 85.00 °C. @ 2.00 mm Hg
|
| boiling point : | 268.00 - 269.00 °C. @ 760.00 mm Hg
|
| logp : | 5.70 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
| | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | 230.00 °F. TCC ( 110.00 °C. )
|
| | |
| recommendation for tetrahydroionyl acetate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
|
| | |
| recommendation for tetrahydroionyl acetate usage levels up to : |
| | not for flavor use.
|
| | |
| safety links : | |
| (EINECS) number : | 271-435-3 |
| chemidplus : | 068555599 |
| epa-srs : | 68555-59-9 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 686815 |
| NIST Chemistry WebBook : | 2230356551 |
| | |