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| IUPAC name : | 2-phenoxyethanol |
| InChI : | InChI=1/C8H10O2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,9H,6-7H2 |
| InChIKey : | QCDWFXQBSFUVSP-UH |
| SMILES : | C1=CC=C(C=C1)OCCO |
| cas number : | 122-99-6 |
| (EINECS) number : | 204-589-7 |
| eu annex : | 603-098-00-9 |
| beilstein number : | 1364011 |
| fema number : | 4620 |
| molar refractivity : | 39.09 ± 0.3 cm3 |
| parachor : | 320.4 ± 4.0 cm3 |
| index of refraction : | 1.525 ± 0.02 |
| surface tension : | 39.9 ± 3.0 dyne/cm |
| density : | 1.084 ± 0.06 g/cm3 |
| polarizability : | 15.50 ± 0.5 10-24cm3 |
| XlogP : | 1.20 |
| XlogP3 : | 1.20 |
| molecular weight : | 138.1638000 (IUPAC) |
| formula : | C8 H10 O2 |
| BioActivity Analysis : | 68596 |
| pherobase : | view |
| NMR Predictor : | Predict |
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| export tariff code : | 2909.49.0000 |
| fda reg : | unspecified |
Suppliers :
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| Berje : | Phenoxy Ethanol
(Rose Ether) |
| John D. Walsh : | Phenoxy Ethanol
|
| Moellhausen : | phenoxyethyl alcohol
99% min. nature identical kosher |
| Penta : | phenoxyethanol
|
| Sigma-Aldrich-Fluka : | 2-Phenoxyethanol
≥99.0% |
| Symrise : | Phenoxyethyl alcohol
Odor: weak, mild, rosy, balsamic, cinnamon-like |
| Vigon : | Phenoxy Ethanol Extra
98% Odor: MILD ROSY, METALLIC |
| Vigon : | Phenoxy Ethanol Rose Ether
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organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description¹ : at 100.00 %. | mild rose balsam cinnamyl |
| odor sample from : | Emery Chemicals |
| substantivity : | 84 Hour(s) |
properties :
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| appearence : | colorless oily liquid to solid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.10500 to 1.10800 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.195 to 9.220
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| refractive index : | 1.53700 to 1.54000 @ 20.00 °C.
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| melting point : | 12.00 to 14.00 °C. @ 760.00 mm Hg
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| boiling point : | 237.00 to 238.00 °C. @ 760.00 mm Hg
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| boiling point : | 153.00 to 154.00 °C. @ 50.00 mm Hg
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| vapor pressure : | 0.00700 mm/Hg @ 25.00 °C. |
| flash point : | 250.00 °F. TCC ( 121.11 °C. )
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| logP (o/w) : | 1.16 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 36 - Irritating to eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37 - Wear suitable gloves.
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| Oral Toxicity(LD50) : |
| |
Oral-Rat 1260.00 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 259, 1941.
Intraperitoneal-Mouse 490.00 mg/kg Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
Oral-Mouse 933.00 mg/kg Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
Intraperitoneal-Rat 554.00 mg/kg Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 5.00 ml/kg Union Carbide Data Sheet. Vol. 6/24/1958
Skin-Rat 14422.00 mg/kg Journal of the American College of Toxicology. Vol. 9, Pg. 259, 1990.
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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 phenoxyethanol fragrance usage levels up to : |
| | 5.0000 % 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 : 24 |
| | average usual ppm | average maximum ppm |
| baked goods : | 4.00000 | 8.00000 |
| beverages(nonalcoholic) : | 0.50000 | 2.00000 |
| beverages(alcoholic) : | 1.00000 | 3.00000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 2.00000 | 5.00000 |
| fruit ices : | 1.00000 | 2.00000 |
| gelatins / puddings : | 1.00000 | 3.00000 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 1.00000 | 5.00000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | - | - |
| soft candy : | 1.00000 | 5.00000 |
| soups : | - | - |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
|
| EPI System : | view |
| NIOSH International Chemical Safety Cards : | search |
| NLM Hazardous Substances Data Bank : | search |
| AIDS Citations : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| National Toxicology Program : | Search |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
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| WGK Germany : | 1 |
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| | 2-phenoxyethanol |
| (EINECS) number : | 204-589-7 |
| RTECS : | 122-99-6 |
| chemidplus : | 000122996 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 122-99-6 |
| dtp/nci : | 1864 |
references :
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| | 2-phenoxyethanol |
| NIST Chemistry WebBook : | 3848789196 |
| pubchem : | 173272 |
Cosmetics :
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| Cosmetic uses : |
preservatives
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other :
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| reference : | Luebke, William tgsc, (1987)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| RIFM : | listed |
| FMA : | listed |
| Household Products : | Search |