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| IUPAC name : | methyl 2-[[3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate |
| InChI : | InChI=1/C19H21NO3/c1-14(12-15-8-10-16(22-2)11-9-15)13-20-18-7-5-4-6-17(18)19(21)23-3/h4-11,13-14H,12H2,1-3H3 |
| InChIKey : | DCVGBQPSFNIPPI-UHFFFAOYAH |
| SMILES : | CC(CC1=CC=C(C=C1)OC)C=NC2=CC=CC=C2C(=O)OC |
| cas number : | 111753-62-9 |
| molar refractivity : | 91.14 ± 0.5 cm3 |
| parachor : | 719.5 ± 8.0 cm3 |
| index of refraction : | 1.532 ± 0.05 |
| surface tension : | 35.9 ± 7.0 dyne/cm |
| density : | 1.05 ± 0.1 g/cm3 |
| polarizability : | 36.13 ± 0.5 10-24cm3 |
| XlogP : | 3.80 |
| XlogP3-AA : | 3.80 |
| molecular weight : | 311.3749400 (IUPAC) |
| formula : | C19 H21 N O3 |
| NMR Predictor : | Predict |
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| export tariff code : | 2922.49.8050 |
| fda reg : | unspecified |
Suppliers :
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| Prodasynth : | CANTHOXALIA
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| Vigon : | Methyl Anthranilate / Anisyl Propanal Schiff Base
Odor: SWEET, FLORAL |
organoleptics :
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| odor type : | floral |
| odor strength : | medium , recommend smelling in a 50.00 % solution or less |
odor description :¹ at 50.00 % in dipropylene glycol. | sweet anise hawthorn green floral cortex mimosa absolute spicy powdery |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | yellow solid paste |
| assay : | 90.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.09950 to 1.10750 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.149 to 9.216
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| refractive index : | 1.54800 to 1.55700 @ 20.00 °C.
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| boiling point : | 465.00 to 466.00 °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) : | 5.16 |
| shelf life : | 48.00 month(s) or longer if stored properly. |
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 anisyl propanal / methyl anthranilate schiff's base usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for anisyl propanal / methyl anthranilate schiff's base 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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| WGK Germany : | 3 |
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| | methyl 2-[[3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate
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| chemidplus : | 111753629 |
| EPA Substance Registry Services : | 111753-62-9 |
references :
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| | methyl 2-[[3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate
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| pubchem : | 662991 |
other :
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| reference : | Luebke, William tgsc, (1988)¹ |