| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 2-tert-butylcyclohexan-1-one |
| InChI : | InChI=1/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h8H,4-7H2,1-3H3 |
| InChIKey : | ZRYDPLOWJSFQAE-UHFFFAOYAQ |
| SMILES : | CC(C)(C)C1CCCCC1=O |
| (EINECS) number : | 217-043-8 |
| cas number : | 1728-46-7 |
| molar refractivity : | 45.99 ± 0.3 cm3 |
| parachor : | 400.3 ± 6.0 cm3 |
| index of refraction : | 1.456 ± 0.02 |
| surface tension : | 31.3 ± 3.0 dyne/cm |
| density : | 0.911 ± 0.06 g/cm3 |
| polarizability : | 18.23 ± 0.5 10-24cm3 |
| xlogp : | 2.90 |
| molecular weight : | 154.2493200 |
| formula : | C10 H18 O |
|
|
| |
| |
| IUPAC name : | (2R)-2-tert-butylcyclohexan-1-one |
| InChI : | InChI=1/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h8H,4-7H2,1-3H3/t8-/m0/s1 |
| InChIKey : | ZRYDPLOWJSFQAE-QMMMGPOBBH |
| SMILES : | CC(C)(C)[C@H]1CCCCC1=O |
| cas number : | 1728-46-7 |
| molar refractivity : | 45.99 ± 0.3 cm3 |
| parachor : | 400.3 ± 6.0 cm3 |
| index of refraction : | 1.456 ± 0.02 |
| surface tension : | 31.3 ± 3.0 dyne/cm |
| density : | 0.911 ± 0.06 g/cm3 |
| polarizability : | 18.23 ± 0.5 10-24cm3 |
| xlogp : | 2.90 |
| molecular weight : | 154.2493200 |
| formula : | C10 H18 O |
|
|
| |
| |
| IUPAC name : | (2S)-2-tert-butylcyclohexan-1-one |
| InChI : | InChI=1/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h8H,4-7H2,1-3H3/t8-/m1/s1 |
| InChIKey : | ZRYDPLOWJSFQAE-MRVPVSSYBJ |
| SMILES : | CC(C)(C)[C@@H]1CCCCC1=O |
| cas number : | 1728-46-7 |
| molar refractivity : | 45.99 ± 0.3 cm3 |
| parachor : | 400.3 ± 6.0 cm3 |
| index of refraction : | 1.456 ± 0.02 |
| surface tension : | 31.3 ± 3.0 dyne/cm |
| density : | 0.911 ± 0.06 g/cm3 |
| polarizability : | 18.23 ± 0.5 10-24cm3 |
| xlogp : | 2.90 |
| molecular weight : | 154.2493200 |
| formula : | C10 H18 O |
|
|
| |
| |
| fda reg : | unspecified |
h. number : | 2914.29.0000 |
| |
| organoleptics : | |
| odor type : | woody |
| odor strength : | high ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | powerful woody camphor |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.90600 - 0.91400 @ 25.00 °C.
|
| pounds per gallon - calc. : | 7.539 to 7.605
|
| specific gravity : | 0.90700 - 0.91500 @ 20.00 °C.
|
| pounds per gallon - calc. : | 7.556 to 7.623
|
| refractive index : | 1.45400 - 1.45900 @ 20.00 °C.
|
| refractive index : | 1.45700 @ 20.00 °C.
|
| boiling point : | 62.50 °C. @ 4.00 mm Hg
|
| logp : | 2.48 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
|
| Dermal Toxicity(LD50) : |
Not determined
|
| | |
| flash point ( Deg. F. ) : | 167.00 °F. TCC ( 75.00 °C. )
|
| | |
| recommendation for 2-tert-butyl cyclohexanone usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
|
| | |
| recommendation for 2-tert-butyl cyclohexanone usage levels up to : |
| | not for flavor use.
|
| | |
| safety links : | |
| (EINECS) number : | 217-043-8 |
| chemidplus : | 001728467 |
| epa-srs : | 1728-46-7 |
| | |
| chemidplus : | 1728-46-7 |
| epa-srs : | 1728-46-7 |
| | |
| chemidplus : | 1728-46-7 |
| epa-srs : | 1728-46-7 |
| | |
| other : | |
| |
|
| references : | |
| pubchem : | 680158 |
| NIST Chemistry WebBook : | 2781942749 |
| | |
| pubchem : | 43603522 |
| | |
| pubchem : | 43603523 |
| | |