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| IUPAC name : | 4-hydroxy-3-methoxybenzoic acid |
| InChI : | InChI=1/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
| InChIKey : | WKOLLVMJNQIZCI-UHFFFAOYAH |
| SMILES : | COC1=C(C=CC(=C1)C(=O)O)O |
| (EINECS) number : | 204-466-8 |
| cas number : | 121-34-6 |
| beilstein number : | 2208364 |
| fema number : | 3988 |
| coe number : | 697 |
| jecfa number : | 959 |
| fl. number : | 08.043 |
| molar refractivity : | 41.74 ± 0.3 cm3 |
| parachor : | 341.0 ± 4.0 cm3 |
| index of refraction : | 1.585 ± 0.02 |
| surface tension : | 56.5 ± 3.0 dyne/cm |
| density : | 1.351 ± 0.06 g/cm3 |
| polarizability : | 16.54 ± 0.5 10-24cm3 |
| xlogp : | 1.10 |
| molecular weight : | 168.1467200 |
| formula : | C8 H8 O4 |
| BioActivity Analysis : | 70387 |
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| export tariff code : | 2915.13.0000 |
| fda reg : | unspecified |
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Suppliers :
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| Fontarome Chemical : | VANILLIC ACID |
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| Sigma-Aldrich-SAFC : | Vanillic acid |
| | ≥97% |
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organoleptics :
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| odor type : | creamy |
| odor strength : | medium |
odor description¹ : at 100.00 %. | dairy milky sweet creamy powdery vanilla bean |
properties :
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| appearence : | white to beige powder |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 210.00 - 213.00 °C. @ 760.00 mm Hg
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| logp : | 1.43 |
safety :
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| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 24.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 26.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for vanillic acid usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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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). |
| publication number : 20. |
| 3988 | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | 5.00000 | 25.00000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | 5.00000 | 25.00000 |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 5.00000 | 25.00000 |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | - | - |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | 3.00000 | 15.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | - | - |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety links :
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| (EINECS) number : | 204-466-8 |
| rtecs : | YM5300000 for 121-34-6 |
| chemidplus : | 000121346 |
| epa-srs : | 121-34-6 |
| dtp/nci : | 3987 |
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other :
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references :
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| jecfa number : | 959 |
| fl. number : | 08.043 |
| pubchem : | 151626 |
| NIST Chemistry WebBook : | 1814882549 |
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| reference : | Luebke, William tgsc, (2007)¹ |