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| IUPAC name : | methyl 2-[[3-(4-tert-butylphenyl)-2-methylpropylidene]amino]benzoate |
| InChI : | InChI=1/C22H27NO2/c1-16(14-17-10-12-18(13-11-17)22(2,3)4)15-23-20-9-7-6-8-19(20)21(24)25-5/h6-13,15-16H,14H2,1-5H3/b23-15+ |
| InChIKey : | RBAUBIIMPLZNGC-HZHRSRAPBZ |
| SMILES : | CC(CC1=CC=C(C=C1)C(C)(C)C)C=NC2=CC=CC=C2C(=O)OC |
| cas number : | 91-51-0 |
| (EINECS) number : | 202-073-6 |
| molar refractivity : | 103.74 ± 0.5 cm3 |
| parachor : | 816.0 ± 8.0 cm3 |
| index of refraction : | 1.523 ± 0.05 |
| surface tension : | 33.5 ± 7.0 dyne/cm |
| density : | 0.99 ± 0.1 g/cm3 |
| polarizability : | 41.12 ± 0.5 10-24cm3 |
| XlogP : | 5.70 |
| molecular weight : | 337.4552800 (IUPAC) |
| formula : | C22 H27 N O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2922.49.8050 |
| fda reg : | unspecified |
Suppliers :
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| Apple : | Lilial/MA schiffbase
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| Bedoukian Research : | SCHIFF'S BASE LILIAL-METHYL ANTHRANILATE
≥90.0% (sum of isomers), Kosher Odor: neroli, orange blossom |
| Fleurchem : | lilial / methyl anthranilate schiff's base
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| Givaudan : | Verdantiol
Odor: Linden-Orange Flower |
| Grau Aromatics : | LILANATE 3275 P (LILIALMETHYLANTHRANILATE)
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| Inoue : | LILYANTINE
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| Moellhausen : | verdantiol
artifical kosher Odor: fresh floral, sweet aromatic, citrusy; notes of muguet and neroli |
| Penta : | methyl anthranilate/ lilial schiff base
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| Vigon : | Methyl Anthranilate / Lilial Schiff Base
Odor: PLEASANT, ALDEHYDE AROMA. |
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. | fresh green orangeflower lily citrus hydroxycitronellal |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | yellow liquid to solid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.03590 to 1.04210 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.620 to 8.671
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| refractive index : | 1.53560 to 1.54290 @ 20.00 °C.
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| vapor pressure : | 0.00130 mm/Hg @ 20.00 °C. |
| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 6.94 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 38 - Irritating to skin. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 24 - Avoid contact with skin. S 37 - Wear suitable gloves.
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| Human experience : | 12% in petrolatum produced no irritation or sensitization in humans. |
| Oral Toxicity(LD50) : |
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Oral-Rat 3000.00 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 729, 1982.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg Food and Chemical Toxicology. Vol. 20, Pg. 729, 1982.
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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 lilyall / methyl anthranilate schiff's base usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for lilyall / 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 : | 2 |
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| | methyl 2-[[3-(4-tert-butylphenyl)-2-methylpropylidene]amino]benzoate
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| (EINECS) number : | 202-073-6 |
| chemidplus : | 000091510 |
| EPA Substance Registry Services : | 91-51-0 |
references :
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| | methyl 2-[[3-(4-tert-butylphenyl)-2-methylpropylidene]amino]benzoate
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| pubchem : | 206752 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1986)¹ |
| CosIng : | cosmetic data |