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| IUPAC name : | cyclohexyl 2-aminobenzoate |
| InChI : | InChI=1/C13H17NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2 |
| InChIKey : | KFEZETDKFSMLMG-UHFFFAOYAH |
| SMILES : | C1CCC(CC1)OC(=O)C2=CC=CC=C2N |
| cas number : | 7779-16-0 |
| (EINECS) number : | 231-920-2 |
| fema number : | 2350 |
| coe number : | 257 |
| jecfa number : | 1541 |
| fl. number : | 09.722 |
| molar refractivity : | 62.57 ± 0.4 cm3 |
| parachor : | 506.0 ± 6.0 cm3 |
| index of refraction : | 1.559 ± 0.03 |
| surface tension : | 46.7 ± 5.0 dyne/cm |
| density : | 1.13 ± 0.1 g/cm3 |
| polarizability : | 24.80 ± 0.5 10-24cm3 |
| XlogP : | 3.40 |
| molecular weight : | 219.2795800 |
| formula : | C13 H17 N O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2922.49.3800 |
| fda reg : | 172.515 |
Suppliers :
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| Penta : | cyclohexyl anthranilate
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description : at 100.00 %. | mild neroli orange blossom |
properties :
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| appearence : | pale yellow clear liquid |
| assay : | 98.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.09800 to 1.10800 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.136 to 9.220
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| refractive index : | 1.55900 to 1.56900 @ 20.00 °C.
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| boiling point : | 318.00 °C. @ 760.00 mm Hg
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| boiling point : | 150.00 °C. @ 0.30 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 0.00100 mm/Hg @ 20.00 °C. |
| vapor density : | >1 ( Air = 1 ) |
| flash point : | 220.00 °F. TCC ( 104.44 °C. )
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| logP (o/w) : | 4.10 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes.
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| Oral Toxicity(LD50) : |
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Not determined
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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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.007 (μg/capita/day) |
| Threshold of concern : | 1800 (μg/person/day) |
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| recommendation for cyclohexyl anthranilate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for cyclohexyl anthranilate usage levels up to : |
| | 10.0000 ppm in the flavor.
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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 |
| Chemical Carcinogenesis Research Information System : | Search |
| Env. Mutagen Info. Center : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | cyclohexyl 2-aminobenzoate
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| (EINECS) number : | 231-920-2 |
| chemidplus : | 007779160 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 7779-16-0 |
references :
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| | cyclohexyl 2-aminobenzoate
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| fl. number : | 09.722 |
| jecfa number : | 1541 |
| NIST Chemistry WebBook : | 1376532174 |
| pubchem : | 167020 |
other :
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