| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | (1-acetylcyclohexyl) acetate |
| InChI : | InChI=1/C10H16O3/c1-8(11)10(13-9(2)12)6-4-3-5-7-10/h3-7H2,1-2H3 |
| InChIKey : | GIFAYASOTQVRTG-UHFFFAOYAS |
| SMILES : | CC(=O)C1(CCCCC1)OC(=O)C |
| cas number : | 52789-73-8 |
| (EINECS) number : | 258-186-6 |
| fema number : | 3701 |
| jecfa number : | 442 |
| fl. number : | 09.293 |
| molar refractivity : | 48.28 ± 0.3 cm3 |
| parachor : | 427.9 ± 6.0 cm3 |
| index of refraction : | 1.460 ± 0.03 |
| surface tension : | 34.7 ± 5.0 dyne/cm |
| density : | 1.04 ± 0.1 g/cm3 |
| polarizability : | 19.14 ± 0.5 10-24cm3 |
| XlogP : | 1.50 |
| XlogP3-AA : | 1.50 |
| molecular weight : | 184.2322400 (IUPAC) |
| formula : | C10 H16 O3 |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | 2915.39.9050 |
| fda reg : | unspecified |
Suppliers :
|
| Nanjing : | 1-acetylcyclohexyl acetate
|
organoleptics :
|
| odor type : | floral |
| odor strength : | medium |
odor description : at 100.00 %. | sweet fruity floral honey |
properties :
|
| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.04000 to 1.05000 @ 25.00 °C.
|
| pounds per gallon - calc. : | 8.654 to 8.737
|
| refractive index : | 1.46000 to 1.47000 @ 20.00 °C.
|
| boiling point : | 67.00 °C. @ 3.00 mm Hg
|
| flash point : | 217.00 °F. TCC ( 102.78 °C. )
|
| logP (o/w) : | 1.48 |
safety :
|
| Oral Toxicity(LD50) : |
| |
Gavage-Rat [sex: M,F] 2150.00 mg/kg (Piccirillo & Hartman, 1980b)
|
| Dermal Toxicity(LD50) : |
| |
Not determined
|
| Inhalation Toxicity(LC50) : |
| |
Not determined
|
| |
safety in use :
|
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
| |
| recommendation for 1-acetyl cyclohexyl acetate usage levels up to : |
| | not for fragrance use.
|
safety references :
|
| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| |
| |
| |
| | (1-acetylcyclohexyl) acetate
|
| (EINECS) number : | 258-186-6 |
| chemidplus : | 052789738 |
| EPA Substance Registry Services : | 52789-73-8 |
references :
|
| | (1-acetylcyclohexyl) acetate
|
| fl. number : | 09.293 |
| jecfa number : | 442 |
| pubchem : | 198499 |
other :
|
| FDA Everything Added to Food in the United States (EAFUS) | View |