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| IUPAC name : | 2-ethoxy-4-methylphenol |
| InChI : | InChI=1/C9H12O2/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6,10H,3H2,1-2H3 |
| InChIKey : | ZWQBCCVEOIYNDL-UHFFFAOYAN |
| SMILES : | CCOC1=C(C=CC(=C1)C)O |
| cas number : | 2563-07-7 |
| molar refractivity : | 44.27 ± 0.3 cm3 |
| parachor : | 356.3 ± 4.0 cm3 |
| index of refraction : | 1.524 ± 0.02 |
| surface tension : | 36.8 ± 3.0 dyne/cm |
| density : | 1.052 ± 0.06 g/cm3 |
| polarizability : | 17.55 ± 0.5 10-24cm3 |
| XlogP : | 2.40 |
| molecular weight : | 152.1903800 (IUPAC) |
| formula : | C9 H12 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Givaudan : | Ultravanil
80%/DPG Odor: Vanilla, Sweet, Phenolic Ultravanil has a very powerful vanilla absolute note. Neat it has a strong phenolic background. 10% dilution at 1 or 2% can be used as a booster to other vanillic notes in a formulation. Ultravanil works well in combination with vanillin and ethyl vanillin. It is also used to boost the performance of Isobutavan. Ultravanil is far less discolouring than either vanillin or ethylvanillin. |
| Vigon : | Ultravanil
Odor: Vanilla, Sweet, Phenolic |
organoleptics :
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| odor type : | vanilla |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | vanilla woody spicy guaiacol Luebke, William tgsc, (1996) |
| odor sample from : | Quest International |
properties :
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| appearence : | pale yellow to yellow clear liquid to solid |
| assay : | 96.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.06500 to 1.06700 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.862 to 8.879
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| refractive index : | 1.51000 @ 20.00 °C.
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| boiling point : | 243.00 to 244.00 °C. @ 760.00 mm Hg
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| flash point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 2.18 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. 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 20/21 - When using do not eat, drink or smoke. 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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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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| Category : | fragrance agents |
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| IFRA critical Effect : | Sensitization |
| Fragrance usage is IFRA RESTRICTED to : |
| Please review all IFRA documents for complete information. (QRA) |
| IFRA categories : limits in the finished product: (For a description of the categories, refer to the IFRA QRA Information Booklet.)
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Category 1 : See Note (1) | 0.01 % (1) | Category 2 : | 0.01 % |
| Category 3 : | 0.03 % | Category 4 : | 0.10 % |
| Category 5 : | 0.10 % | Category 6 : See Note (1) | 0.20 % (1) |
| Category 7 : | 0.02 % | Category 8 : | 0.20 % |
| Category 9 : | 1.20 % | Category 10 : | 1.90 % |
| Category 11 : | See Note (2) |
| | Notes : |
| | (1) IFRA would recommend that any material used to impart perfume or flavour in products intended for human ingestion should consist of ingredients that are in compliance with appropriate regulations for foods and food flavourings in the countries of planned distribution and, where these are lacking, with the recommendations laid down in the Code of Practice of IOFI (International Organisation of the Flavor Industry). Further information about IOFI can be found on its website (www.iofi.org). |
| | (2) Category 11 includes all non-skin contact or incidental skin contact products. Due to the negligible skin contact from these types of products there is no justification for a restriction of the concentration of this fragrance ingredient in the finished product. |
| recommendation for vanilla cresol flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| IFRA : | IFRA - ( Found under : 2-Ethoxy-4-methylphenol ) |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 2-ethoxy-4-methylphenol |
| chemidplus : | 002563077 |
| EPA Substance Registry Services : | 2563-07-7 |
references :
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| | 2-ethoxy-4-methylphenol |
| NIST Chemistry WebBook : | 3159180724 |
| pubchem : | 217936 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |