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| IUPAC name : | methyl 2-(2-cyclohexylethylideneamino)benzoate |
| InChI : | InChI=1/C16H15NO2/c1-19-16(18)14-9-5-6-10-15(14)17-12-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3/b17-12+ |
| InChIKey : | UTUBQSIVMXUACR-SFQUDFHCBP |
| SMILES : | COC(=O)C1=CC=CC=C1N=CCC2=CC=CC=C2 |
| cas number : | 67785-76-6 |
| (EINECS) number : | 267-070-4 |
| molar refractivity : | 76.29 ± 0.5 cm3 |
| parachor : | 599.5 ± 8.0 cm3 |
| index of refraction : | 1.546 ± 0.05 |
| surface tension : | 38.4 ± 7.0 dyne/cm |
| density : | 1.05 ± 0.1 g/cm3 |
| polarizability : | 30.24 ± 0.5 10-24cm3 |
| XlogP : | 3.50 |
| molecular weight : | 253.2958000 |
| formula : | C16 H15 N O2 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | floral |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | hyacinth green foliage floral mandarin sweet pea |
| substantivity : | 244 Hour(s) |
properties :
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| appearence : | yellow viscous liquid to solid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.10270 to 1.11160 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.176 to 9.250
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| refractive index : | 1.55590 to 1.56630 @ 20.00 °C.
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| boiling point : | 414.00 to 415.00 °C. @ 760.00 mm Hg
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| flash point : | 230.00 °F. TCC ( 110.00 °C. )
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| logP (o/w) : | 4.48 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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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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| recommendation for phenyl acetaldehyde / methyl anthranilate schiff's base usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | methyl 2-(2-cyclohexylethylideneamino)benzoate
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| (EINECS) number : | 267-070-4 |
| chemidplus : | 067785766 |
| EPA Substance Registry Services : | 67785-76-6 |
references :
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| | methyl 2-(2-cyclohexylethylideneamino)benzoate
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| pubchem : | 683032 |
other :
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| reference : | Luebke, William tgsc, (1987)¹ |