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| IUPAC name : | methyl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate |
| InChI : | InChI=1/C18H27NO3/c1-14(8-7-12-18(2,3)21)11-13-19-16-10-6-5-9-15(16)17(20)22-4/h5-6,9-10,13-14,21H,7-8,11-12H2,1-4H3/b19-13+ |
| InChIKey : | BFBPISPWJZMWJN-CPNJWEJPBU |
| SMILES : | CC(CCCC(C)(C)O)CC=NC1=CC=CC=C1C(=O)OC |
| cas number : | 89-43-0 |
| (EINECS) number : | 201-908-1 |
| molar refractivity : | 88.89 ± 0.5 cm3 |
| parachor : | 729.6 ± 8.0 cm3 |
| index of refraction : | 1.501 ± 0.05 |
| surface tension : | 34.2 ± 7.0 dyne/cm |
| density : | 1.01 ± 0.1 g/cm3 |
| polarizability : | 35.23 ± 0.5 10-24cm3 |
| XlogP : | 4.10 |
| molecular weight : | 305.4118800 (IUPAC) |
| formula : | C18 H27 N O3 |
| BioActivity Analysis : | 118795 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Apple : | Aurantion
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| Berje : | Aurantiol BJ
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| Fleurchem : | hydroxycitronellal / methyl anthranilate schiff's base
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| Givaudan : | Aurantiol® Pure
Odor: Floral, Orange flower, Linden-Blossom |
| Inoue : | AURANTINE
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| John D. Walsh : | Auralva
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| Moellhausen : | aurantiol
artifical kosher Odor: neroli orange, muguet, grape character; sweet heavy, floral, orange-blossom type |
| Penta : | aurantiol
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| Polarome : | AURANTIOL
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| Vigon : | Aurantiol Pure
Odor: FLORAL, ORANGE-BLOSSOM, LINDEN-BLOSSOM |
| Vigon : | Methyl Anthranilate / Hydroxycitronellal Schiff Base
Odor: FLORAL, ORANGE-BLOSSOM, LINDEN-BLOSSOM |
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. | floral lily orange blossom sweet |
| odor sample from : | Givaudan Corporation |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | yellow viscous liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.02160 to 1.02840 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.501 to 8.557
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| refractive index : | 1.50360 to 1.51090 @ 20.00 °C.
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| boiling point : | 162.00 °C. @ 101.00 mm Hg
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| vapor pressure : | 0.00400 mm/Hg @ 20.00 °C. |
| flash point : | 201.00 °F. TCC ( 93.89 °C. )
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| logP (o/w) : | 4.40 |
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 24/25 - Avoid contact with skin and eyes.
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| Oral Toxicity(LD50) : |
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Oral-Rat >5000.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >10000.00 mg/kg
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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 hydroxycitronellal / methyl anthranilate schiff's base usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for hydroxycitronellal / 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 : | 1 |
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| | methyl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate
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| (EINECS) number : | 201-908-1 |
| chemidplus : | 000089430 |
| EPA Substance Registry Services : | 89-43-0 |
| dtp/nci : | 78483 |
references :
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| | methyl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate
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| pubchem : | 675372 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1983)¹ |
| CosIng : | cosmetic data |