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| IUPAC name : | 2-hydroxy-4-methoxybenzaldehyde |
| InChI : | InChI=1/C8H8O3/c1-11-7-3-2-6(5-9)8(10)4-7/h2-5,10H,1H3 |
| InChIKey : | WZUODJNEIXSNEU-UHFFFAOYAF |
| SMILES : | COC1=CC(=C(C=C1)C=O)O |
| cas number : | 673-22-3 |
| (EINECS) number : | 211-604-0 |
| beilstein number : | 1072443 |
| fema number : | 4435 |
| molar refractivity : | 41.56 ± 0.3 cm3 |
| parachor : | 324.0 ± 4.0 cm3 |
| index of refraction : | 1.587 ± 0.02 |
| surface tension : | 47.3 ± 3.0 dyne/cm |
| density : | 1.231 ± 0.06 g/cm3 |
| polarizability : | 16.47 ± 0.5 10-24cm3 |
| XlogP : | 1.70 |
| molecular weight : | 152.1473200 |
| formula : | C8 H8 O3 |
| BioActivity Analysis : | 433739 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Sigma-Aldrich-Fluka : | 2-Hydroxy-4-methoxybenzaldehyde
purum, ≥98.0% (GC) |
| TCI AMERICA : | 2-Hydroxy-4-methoxybenzaldehyde
>97.0%(T) |
organoleptics :
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odor description :
| vanillin like |
properties :
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| appearence : | colorless to pale yellow clear solid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 41.00 to 43.00 °C. @ 760.00 mm Hg
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| boiling point : | 269.00 to 270.00 °C. @ 760.00 mm Hg
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| boiling point : | 124.00 °C. @ 12.00 mm Hg
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| flash point : | 235.00 °F. TCC ( 112.78 °C. )
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| logP (o/w) : | 1.79 |
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 36 - Wear suitable protective clothing.
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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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| recommendation for 4-methoxysalicylaldehyde usage levels up to : |
| | not for fragrance use.
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| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link. |
| publication number : 24 |
| | average usual ppm | average maximum ppm |
| baked goods : | 10.00000 | 100.00000 |
| beverages(nonalcoholic) : | 5.00000 | 50.00000 |
| beverages(alcoholic) : | 20.00000 | 50.00000 |
| breakfast cereal : | 10.00000 | 100.00000 |
| cheese : | - | - |
| chewing gum : | 20.00000 | 100.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | 10.00000 | 50.00000 |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 10.00000 | 50.00000 |
| fruit ices : | - | - |
| gelatins / puddings : | 10.00000 | 50.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 20.00000 | 100.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | 10.00000 | 25.00000 |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | 10.00000 | 50.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 100.00000 | 1000.00000 |
| snack foods : | - | - |
| soft candy : | 10.00000 | 50.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | 10.00000 | 50.00000 |
safety references :
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| EPI System : | view |
| Cancer Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 2-hydroxy-4-methoxybenzaldehyde
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| (EINECS) number : | 211-604-0 |
| RTECS : | BZ2810000 for 673-22-3 |
| chemidplus : | 000673223 |
| EPA Substance Registry Services : | 673-22-3 |
| dtp/nci : | 155334 |
references :
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| | 2-hydroxy-4-methoxybenzaldehyde
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| NIST Chemistry WebBook : | 3799769872 |
| pubchem : | 211776 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |