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| IUPAC name : | phenol |
| InChI : | InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H |
| InChIKey : | ISWSIDIOOBJBQZ-UHFFFAOYAI |
| SMILES : | C1=CC=C(C=C1)O |
| cas number : | 108-95-2 |
| (EINECS) number : | 203-632-7 |
| eu annex : | 604-001-00-2 |
| fema number : | 3223 |
| coe number : | 11811 |
| jecfa number : | 690 |
| fl. number : | 04.041 |
| molar refractivity : | 28.13 ± 0.3 cm3 |
| parachor : | 222.2 ± 4.0 cm3 |
| index of refraction : | 1.553 ± 0.02 |
| surface tension : | 40.9 ± 3.0 dyne/cm |
| density : | 1.071 ± 0.06 g/cm3 |
| polarizability : | 11.15 ± 0.5 10-24cm3 |
| XlogP : | 1.60 |
| molecular weight : | 94.1112400 |
| formula : | C6 H6 O |
| BioActivity Analysis : | 93335 |
| NMR Predictor : | Predict |
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| export tariff code : | 2907.11.0000 |
| fda reg : | 175.105 175.300 175.380 175.390 176.170 177.1210 177.1580 177.2410 177.2600 |
Suppliers :
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| Penta : | phenol
crystals |
| Penta : | phenol
90% liquid |
| Sigma-Aldrich-SAFC : | Phenol
≥99%, Kosher |
organoleptics :
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| odor type : | phenolic |
| odor strength : | high , recommend smelling in a 0.01 % solution or less |
odor description : at 0.01 % in dipropylene glycol. | phenolic plastic rubber |
properties :
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| appearence : | white crystals |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.07100 @ 25.00 °C.
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| melting point : | 38.00 to 41.00 °C. @ 760.00 mm Hg
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| boiling point : | 181.00 to 182.00 °C. @ 760.00 mm Hg
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| boiling point : | 104.00 to 105.00 °C. @ 50.00 mm Hg
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| vapor pressure : | 0.35000 mm/Hg @ 25.00 °C. |
| flash point : | 175.00 °F. TCC ( 79.44 °C. )
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| logP (o/w) : | 1.46 |
safety :
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| most important hazard(s) : | T - Toxic. |
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R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R 34 - Causes burns. R 48 - Danger of serious damage to health by prolonged exposure. R 68 - Possible risk of irreversible effects. S 01/02 - Keep locked up and 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 28 - After contact with skin, wash immediately with plenty of water. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately.
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| Oral Toxicity(LD50) : |
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Oral-Rat 317.00 mg/kg
Oral-Mouse 270.00 mg/kg
Intraperitoneal-Rat 127.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 630.00 mg/kg
Subcutaneous-Mouse 344.00 mg/kg
Skin-Rat 669.00 mg/kg
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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) : | 1.00 (μg/capita/day) |
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| recommendation for phenol usage levels up to : |
| | not for fragrance use.
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| recommendation for phenol usage levels up to : |
| | not for flavor use.
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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 |
| EPA-Iris : | IRIS |
| NIOSH International Chemical Safety Cards : | search |
| NIOSH Pocket Guide : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| AIDS Citations : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Carcinogenic Potency Database : | Search |
| EPA GENetic TOXicology : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
| WISER : | UN 1671 |
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| WGK Germany : | 2 |
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| | phenol
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| (EINECS) number : | 203-632-7 |
| RTECS : | 108-95-2 |
| chemidplus : | 000108952 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 108-95-2 |
| dtp/nci : | 36808 |
references :
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| | phenol
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| fl. number : | 04.041 |
| jecfa number : | 690 |
| NIST Chemistry WebBook : | 658737695 |
| pubchem : | 151081 |
Cosmetics :
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| Cosmetic uses : |
not used anymore
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| Dietary Supplements Labels Database : | Search |
| Household Products : | Search |