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| IUPAC name : | 4-hydroxybenzaldehyde |
| InChI : | InChI=1/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H |
| InChIKey : | RGHHSNMVTDWUBI-UHFFFAOYAN |
| SMILES : | C1=CC(=CC=C1C=O)O |
| (EINECS) number : | 204-599-1 |
| cas number : | 123-08-0 |
| beilstein number : | 0471352 |
| fema number : | 3984 |
| coe number : | 558 |
| jecfa number : | 956 |
| fl. number : | 05.047 |
| molar refractivity : | 34.88 ± 0.3 cm3 |
| parachor : | 267.3 ± 4.0 cm3 |
| index of refraction : | 1.618 ± 0.02 |
| surface tension : | 52.0 ± 3.0 dyne/cm |
| density : | 1.226 ± 0.06 g/cm3 |
| polarizability : | 13.83 ± 0.5 10-24cm3 |
| xlogp : | 1.30 |
| molecular weight : | 122.1213400 |
| formula : | C7 H6 O2 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Sigma-Aldrich-SAFC : | 4-Hydroxybenzaldehyde |
| | ≥97%, Kosher |
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organoleptics :
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| odor type : | woody |
| odor strength : | medium |
odor description : at 100.00 %. | sweet woody balsam |
properties :
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| appearence : | yellow to tan powder |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 116.00 - 118.00 °C. @ 760.00 mm Hg
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| boiling point : | 310.00 - 311.00 °C. @ 760.00 mm Hg
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| logp : | 1.35 |
safety :
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| Oral Toxicity(LD50) : |
Oral-Rat 3980.00 mg/kg (Dow Chemical Company, 1992b)
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| Dermal Toxicity(LD50) : |
Not determined
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 55.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 56.00 (μg/capita/day) |
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| flash point ( Deg. F. ) : | 214.00 °F. TCC ( 101.11 °C. )
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| recommendation for 4-hydroxybenzaldehyde 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). |
| publication number : 20. |
| 3984 | average usual ppm | average maximum ppm |
| baked goods : | 5.00000 | 30.00000 |
| beverages(nonalcoholic) : | 1.00000 | 10.00000 |
| beverages(alcoholic) : | 3.00000 | 20.00000 |
| breakfast cereal : | 5.00000 | 30.00000 |
| cheese : | 5.00000 | 30.00000 |
| chewing gum : | 10.00000 | 50.00000 |
| condiments / relishes : | - | - |
| confectionery froastings : | 3.00000 | 20.00000 |
| egg products : | 3.00000 | 20.00000 |
| fats / oils : | 2.00000 | 20.00000 |
| fish products : | - | - |
| frozen dairy : | 5.00000 | 20.00000 |
| fruit ices : | 2.00000 | 20.00000 |
| gelatins / puddings : | 2.00000 | 20.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 5.00000 | 30.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | 5.00000 | 20.00000 |
| jams / jellies : | 5.00000 | 20.00000 |
| meat products : | - | - |
| milk products : | 3.00000 | 20.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 5.00000 | 30.00000 |
| snack foods : | - | - |
| soft candy : | 5.00000 | 20.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety links :
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| (EINECS) number : | 204-599-1 |
| rtecs : | CU6475000 for 123-08-0 |
| chemidplus : | 000123080 |
| epa-srs : | 123-08-0 |
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other :
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references :
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| jecfa number : | 956 |
| fl. number : | 05.047 |
| pubchem : | 173279 |
| NIST Chemistry WebBook : | 1821346123 |
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