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| IUPAC name : | pyridine, 4-ethenyl-, reaction products with 3a,4,7,7a-tetrahydrodimethyl-4,7-methano-1H-indene |
| cas number : | 125352-06-9 |
| % from : | 25.00% |
| (EINECS) number : | 402-520-7 |
| molecular weight : | 185.2649000 |
| formula : | C13 H15 N |
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| IUPAC name : | propan-2-yl tetradecanoate |
| InChI : | InChI=1/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3 |
| InChIKey : | AXISYYRBXTVTFY-UHFFFAOYAN |
| SMILES : | CCCCCCCCCCCCCC(=O)OC(C)C |
| cas number : | 110-27-0 |
| % from : | 75.00% |
| (EINECS) number : | 203-751-4 |
| fema number : | 3556 |
| coe number : | 386 |
| jecfa number : | 311 |
| fl. number : | 09.105 |
| molar refractivity : | 82.54 ± 0.3 cm3 |
| parachor : | 730.6 ± 4.0 cm3 |
| index of refraction : | 1.440 ± 0.02 |
| surface tension : | 29.6 ± 3.0 dyne/cm |
| density : | 0.864 ± 0.06 g/cm3 |
| polarizability : | 32.72 ± 0.5 10-24cm3 |
| XlogP : | 6.40 |
| molecular weight : | 270.4506600 |
| formula : | C17 H34 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| IFF : | Orriniff™ 25% IPM
Odor: Orris, mimosa, violet leaf, amber complex with a leathery, woody nuance. |
organoleptics :
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| odor type : | floral |
| odor strength : | medium , recommend smelling in a 20.00 % solution or less |
odor description :¹ at 25.00 % in isopropyl palmitate. | orris floral violet leather fresh wood |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 48 hour(s) at 100.00 % |
properties :
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| appearence : | yellow to amber clear liquid |
| assay : | 72.00 to 75.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89000 to 0.89700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.406 to 7.464
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| refractive index : | 1.45600 to 1.46200 @ 20.00 °C.
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| flash point : | 201.00 °F. TCC ( 93.89 °C. )
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| logP (o/w) : | 3.58 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. R 43 - May cause sensitisation by skin contact. 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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| Human experience : | no sensitization at 20.0% |
| 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 >5000.00 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 orris pyridine 25% ipm usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
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| WGK Germany : | 2 |
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| | pyridine, 4-ethenyl-, reaction products with 3a,4,7,7a-tetrahydrodimethyl-4,7-methano-1H-indene
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| (EINECS) number : | 402-520-7 |
| chemidplus : | 125352069 |
| EPA Substance Registry Services : | 125352-06-9 |
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| | propan-2-yl tetradecanoate
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| (EINECS) number : | 203-751-4 |
| RTECS : | XB8600000 for 110-27-0 |
| chemidplus : | 000110270 |
| EPA Substance Registry Services : | 110-27-0 |
| dtp/nci : | 406280 |
references :
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| | pyridine, 4-ethenyl-, reaction products with 3a,4,7,7a-tetrahydrodimethyl-4,7-methano-1H-indene
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| pubchem : | 3811641 |
| | propan-2-yl tetradecanoate
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| fl. number : | 09.105 |
| jecfa number : | 311 |
| NIST Chemistry WebBook : | 4069715661 |
| pubchem : | 151160 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (2001)¹ |
| CosIng : | cosmetic data |