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| IUPAC name : | methyl 2-(benzylideneamino)benzoate |
| InChI : | InChI=1/C15H13NO2/c1-18-15(17)13-9-5-6-10-14(13)16-11-12-7-3-2-4-8-12/h2-11H,1H3 |
| InChIKey : | ZCFRWOFFFLZLDU-LFIBNONCBX |
| SMILES : | COC(=O)C1=CC=CC=C1N=CC2=CC=CC=C2 |
| cas number : | 37837-44-8 |
| (EINECS) number : | 253-685-5 |
| molar refractivity : | 71.68 ± 0.5 cm3 |
| parachor : | 560.9 ± 8.0 cm3 |
| index of refraction : | 1.550 ± 0.05 |
| surface tension : | 38.8 ± 7.0 dyne/cm |
| density : | 1.06 ± 0.1 g/cm3 |
| polarizability : | 28.41 ± 0.5 10-24cm3 |
| XlogP : | 3.30 |
| XlogP3-AA : | 3.10 |
| molecular weight : | 239.2692200 (IUPAC) (PT) (112) |
| formula : | C15 H13 N O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | benzoic acid [(benzylene)amino]-,methyl ester
orders in chinese. |
| Vigon : | Methyl Anthranilate / Benzaldehyde Schiff Base
50% in DEP Odor: BITTER ALMOND |
organoleptics :
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| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | sweet benzaldehyde cherry fruity floral Luebke, William tgsc, (1988) |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | yellow solid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.10100 to 1.10750 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.161 to 9.216
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| refractive index : | 1.56150 to 1.56900 @ 20.00 °C.
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| boiling point : | 405.00 to 406.00 °C. @ 760.00 mm Hg
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| flash point : | 371.00 °F. TCC ( 188.33 °C. )
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| logP (o/w) : | 3.68 |
safety :
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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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| Category : | cosmetic and fragrance agents |
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| recommendation for benzaldehyde / methyl anthranilate schiff's base fragrance usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for benzaldehyde / methyl anthranilate schiff's base flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | methyl 2-(benzylideneamino)benzoate |
| (EINECS) number : | 253-685-5 |
| chemidplus : | 037837448 |
| EPA Substance Registry Services : | 37837-44-8 |
references :
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| | methyl 2-(benzylideneamino)benzoate |
| pubchem : | 739805 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| FMA : | listed |