| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | 1-cyclohexylethanone |
| InChI : | InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 |
| InChIKey : | KWOLFJPFCHCOCG-UHFFFAOYAT |
| SMILES : | CC(=O)C1=CC=CC=C1 |
| (EINECS) number : | 202-759-4 |
| eu annex : | 606-042-00-1 |
| cas number : | 98-86-2 |
| fema number : | 2009 |
| coe number : | 138 |
| jecfa number : | 806 |
| fl. number : | 07.004 |
| molar refractivity : | 36.28 ± 0.3 cm3 |
| parachor : | 292.4 ± 4.0 cm3 |
| index of refraction : | 1.511 ± 0.02 |
| surface tension : | 34.1 ± 3.0 dyne/cm |
| density : | 0.993 ± 0.06 g/cm3 |
| polarizability : | 14.38 ± 0.5 10-24cm3 |
| xlogp : | 1.90 |
| molecular weight : | 120.1485200 |
| formula : | C8 H8 O |
| BioActivity Analysis : | 73468 |
|
|
| |
| |
| fda reg : | 172.515 |
h. number : | 2914.30.0000 |
| organoleptics : | |
| odor type : | floral |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | sweet pungent hawthorn mimosa almond chemical |
| taste description³ : | at 3.50 - 10.00 ppm. Powdery, bitter almond cherry pit-like with coumarinic and fruity nuances |
| substantivity : | 7 hour(s) at 100.00 % |
| properties : | |
| appearence : | colorless to pale yellow clear liquid but solid at low temps |
| assay : | 98.00 - 100.00 %
|
| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 1.02500 - 1.03200 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.529 to 8.587
|
| refractive index : | 1.53300 - 1.53600 @ 20.00 °C.
|
| melting point : | 19.00 - 20.00 °C. @ 760.00 mm Hg
|
| boiling point : | 202.00 - 203.00 °C. @ 760.00 mm Hg
|
| boiling point : | 114.00 - 115.00 °C. @ 50.00 mm Hg
|
| logp : | 1.58 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
| | |
| Oral Toxicity(LD50) : |
Oral-Rat 815.00 mg/kg 26(8),53,1982
|
| Dermal Toxicity(LD50) : |
Skin-Rabbit 15900.00 ul/kg 26(8),53,1982
|
| | |
| flash point ( Deg. F. ) : | 179.00 °F. TCC ( 81.67 °C. )
|
| | |
| recommendation for acetophenone usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
|
| | |
| recommendation for acetophenone usage levels up to : |
| | 20.0000 ppm in the flavor.
|
| | |
| safety links : | |
| msds : | msds |
| | |
| (EINECS) number : | 202-759-4 |
| rtecs : | AM5250000 for 98-86-2 |
| toxnet : | 98-86-2 |
| epa-srs : | 98-86-2 |
| pubchem : | 98-86-2 |
| | |
| other : | |
| |
C of A
|
| references : | |
| reference : | Mosciano, Gerard P&F 26, No. 2, 40, (2001)³ |