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| IUPAC name : | 2-ethoxy-5-[(E)-prop-1-enyl]phenol |
| InChI : | InChI=1/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+ |
| InChIKey : | RADIRXJQODWKGQ-HWKANZROBE |
| SMILES : | CCOC1=C(C=C(C=C1)\C=C\C)O |
| cas number : | 94-86-0 |
| (EINECS) number : | 202-370-0 |
| beilstein number : | 2259898 |
| fema number : | 2922 |
| coe number : | 170 |
| jecfa number : | 1264 |
| fl. number : | 04.002 |
| molar refractivity : | 55.33 ± 0.3 cm3 |
| parachor : | 421.6 ± 4.0 cm3 |
| index of refraction : | 1.567 ± 0.02 |
| surface tension : | 38.4 ± 3.0 dyne/cm |
| density : | 1.052 ± 0.06 g/cm3 |
| polarizability : | 21.93 ± 0.5 10-24cm3 |
| XlogP : | 3.40 |
| molecular weight : | 178.2276600 |
| formula : | C11 H14 O2 |
| BioActivity Analysis : | 71338 |
| NMR Predictor : | Predict |
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| export tariff code : | 2912.49.5000 |
| fda reg : | 172.515 |
Suppliers :
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| Advanced Biotech : | propenyl guaethol
98% min. synthetic Odor: Medicinal, Vanilla |
| Apple : | Vanitrope,Propenyl guaethol
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| Berje : | Propenyl Guaethol
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| Citrus and Allied Essences : | propenyl guaethol
FCC |
| Fleurchem : | isosafro eugenol (propenyl guaethol)
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| John D. Walsh : | Propenyl Guaethol
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| Moellhausen : | propenyl guaethol
95% min. artifical kosher |
| Penta : | propenyl guaethol
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| Polarome : | isoSAFRO EUGENOL
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| Sigma-Aldrich-SAFC : | Propenyl guaethol
≥99%, FCC, Kosher Odor: caramel; creamy; medicinal; nutty; sweet; vanilla; spicy |
organoleptics :
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| odor type : | vanilla |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | sweet vanilla woody tobacco spicy phenolic powdery |
| odor sample from : | CA Aromatics Company Inc. |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | white crystalline powder |
| assay : | 99.00 to 100.00 %
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| heavey metals : | <10ppm |
| Food Chemicals Codex Listed : | Yes |
| melting point : | 86.00 to 88.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.10000 mm/Hg @ 20.00 °C. |
| flash point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 2.90 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 37/39 - Wear suitable gloves and eye/face protection.
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| Oral Toxicity(LD50) : |
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Oral-Rat 2400.00 mg/kg Quarterly Bulletin--Association of Food and Drug Officials of the United States. Vol.15,Pg.82,1951
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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 propenyl guaethol usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for propenyl guaethol usage levels up to : |
| | 25.0000 ppm in the flavor.
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safety references :
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| msds : | msds |
| EPI System : | view |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 2-ethoxy-5-[(E)-prop-1-enyl]phenol
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| (EINECS) number : | 202-370-0 |
| RTECS : | SL3850000 for 94-86-0 |
| chemidplus : | 000094860 |
| EPA Substance Registry Services : | 94-86-0 |
| dtp/nci : | 5194 |
references :
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| | 2-ethoxy-5-[(E)-prop-1-enyl]phenol
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| fl. number : | 04.002 |
| jecfa number : | 1264 |
| pubchem : | 197200 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1997)¹ |
| CosIng : | cosmetic data |
| | C of A |