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| 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 |
| Molar Refractivity : | 48.28 ± 0.3 cm3 (est) |
| Parachor : | 427.9 ± 6.0 cm3 (est) |
| Index of Refraction : | 1.460 ± 0.03 (est) |
| Surface Tension : | 34.7 ± 5.0 dyne/cm (est) |
| Density : | 1.04 ± 0.1 g/cm3 (est) |
| Polarizability : | 19.14 ± 0.5 10-24cm3 (est) |
| XlogP : | 1.50 (est) |
| XlogP3-AA : | 1.50 (est) |
| Molecular Weight : | 184.2322400 (IUPAC) (PT) (112) |
| Formula : | C10 H16 O3 |
| NMR Predictor : | Predict |
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| Category : | flavoring agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | 442
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| Fl@vouring Number : | 09.293
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| FDA Mainterm : | METHYL 1-ACETOXYCYCLOHEXYL KETONE. |
Suppliers :
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| Nanjing : | 1-acetylcyclohexyl acetate
orders in chinese. |
Organoleptics :
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| Odor Type : | floral |
| Odor Strength : | medium |
Odor Description: at 100.00 %. | sweet fruity floral honey |
Properties :
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| Appearence : | colorless clear liquid |
| Assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| Specific Gravity : | 1.04000 to 1.05000 @ 25.00 °C.
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| Pounds per Gallon - est. : | 8.654 to 8.737
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| Refractive Index : | 1.46000 to 1.47000 @ 20.00 °C.
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| Boiling Point : | 67.00 °C. @ 3.00 mm Hg
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| Flash Ppoint : | 217.00 °F. TCC ( 102.78 °C. )
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| logP (o/w) : | 1.48 |
Safety :
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| Oral Toxicity(LD50) : | |
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Gavage-Rat [sex: M,F] 2150.00 mg/kg (Piccirillo & Hartman, 1980b)
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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Safety in Use :
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| Category : | flavoring agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
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| Recommendation for 1-acetyl cyclohexyl acetate fragrance usage levels up to : |
| | not for fragrance use.
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Safety References :
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| 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 |
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| | (1-acetylcyclohexyl) acetate |
| (EINECS) Number : | 258-186-6 |
| Chemidplus : | 052789738 |
| EPA Substance Registry Services : | 52789-73-8 |
References :
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| | (1-acetylcyclohexyl) acetate |
| Pubchem : | 198499 |
Other :
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| Export Tariff Code : | 2915.39.9050 |
| FDA Everything Added to Food in the United States (EAFUS) | View |