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| IUPAC name : | 4-(hydroxymethyl)phenol |
| InChI : | InChI=1/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2 |
| InChIKey : | BVJSUAQZOZWCKN-UHFFFAOYAV |
| SMILES : | C1=CC(=CC=C1CO)O |
| cas number : | 623-05-2 |
| (EINECS) number : | 210-768-0 |
| beilstein number : | 1858967 |
| fema number : | 3987 |
| jecfa number : | 955 |
| fl. number : | 02.165 |
| molar refractivity : | 34.58 ± 0.3 cm3 |
| parachor : | 275.8 ± 4.0 cm3 |
| index of refraction : | 1.595 ± 0.02 |
| surface tension : | 54.1 ± 3.0 dyne/cm |
| density : | 1.220 ± 0.06 g/cm3 |
| polarizability : | 13.71 ± 0.5 10-24cm3 |
| XlogP : | 0.80 |
| molecular weight : | 124.1372200 |
| formula : | C7 H8 O2 |
| BioActivity Analysis : | 132125 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Penta : | 4-hydroxy benzyl alcohol
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| Sigma-Aldrich-SAFC : | 4-Hydroxybenzyl alcohol
≥98% |
organoleptics :
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| odor type : | coconut |
| odor strength : | medium |
odor description : at 100.00 %. | fruity sweet coconut |
properties :
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| appearence : | white powder |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 114.00 to 122.00 °C. @ 760.00 mm Hg
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| boiling point : | 252.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.00082 mm/Hg @ 25.00 °C. |
| flash point : | 294.00 °F. TCC ( 145.56 °C. )
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| logP (o/w) : | 0.25 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36 - Irritating to eyes. S 02 - Keep out of the reach of children. S 22 - Do not breath dust. 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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 5.20 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.06 (μg/capita/day) |
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| recommendation for 4-hydroxybenzyl alcohol usage levels up to : |
| | 0.2000 % 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). |
| 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 : 20 |
| | average usual ppm | average maximum ppm |
| baked goods : | - | - |
| beverages(nonalcoholic) : | 5.00000 | 25.00000 |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 20.00000 | 100.00000 |
| fruit ices : | 20.00000 | 100.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | - | - |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | 15.00000 | 75.00000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | - | - |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
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| WGK Germany : | 3 |
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| | 4-(hydroxymethyl)phenol
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| (EINECS) number : | 210-768-0 |
| chemidplus : | 000623052 |
| EPA Substance Registry Services : | 623-05-2 |
| dtp/nci : | 227926 |
references :
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| | 4-(hydroxymethyl)phenol
|
| fl. number : | 02.165 |
| jecfa number : | 955 |
| NIST Chemistry WebBook : | 650697687 |
| pubchem : | 155483 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |