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| IUPAC name : | 2,5-dimethylphenol |
| InChI : | InChI=1/C8H10O/c1-6-3-4-7(2)8(9)5-6/h3-5,9H,1-2H3 |
| InChIKey : | NKTOLZVEWDHZMU-UHFFFAOYAH |
| SMILES : | CC1=CC(=C(C=C1)C)O |
| cas number : | 95-87-4 |
| (EINECS) number : | 202-461-5 |
| eu annex : | 604-006-00-X |
| beilstein number : | 1099260 |
| fema number : | 3595 |
| coe number : | 537 |
| jecfa number : | 706 |
| fl. number : | 04.019 |
| molar refractivity : | 37.78 ± 0.3 cm3 |
| parachor : | 297.5 ± 4.0 cm3 |
| index of refraction : | 1.540 ± 0.02 |
| surface tension : | 37.2 ± 3.0 dyne/cm |
| density : | 1.014 ± 0.06 g/cm3 |
| polarizability : | 14.97 ± 0.5 10-24cm3 |
| XlogP : | 2.30 |
| molecular weight : | 122.1644000 (IUPAC) |
| formula : | C8 H10 O |
| BioActivity Analysis : | 69227 |
| NMR Predictor : | Predict |
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| export tariff code : | 2907.14.0000 |
| fda reg : | unspecified |
Suppliers :
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| Penta : | 2,5-xylenol
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| SAFC Global® : | 2,5-Xylenol
≥99%, Kosher Odor: medicinal; sweet |
organoleptics :
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| odor type : | phenolic |
| odor strength : | medium , recommend smelling in a 0.10 % solution or less |
odor description: at 0.10 % in propylene glycol. | sweet naphthyl phenolic smoke bacon |
odor description:
| Sweet, naphthyl, phenolic, smoke, bacon and Iysol-like Mosciano, Gerard P&F 15, No. 1, 19, (1990) |
taste description: at 10.00 ppm. | Musty, chemical, stringent and phenolic Mosciano, Gerard P&F 15, No. 1, 19, (1990) |
properties :
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| appearence : | white to tan crystals |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97100 @ 25.00 °C.
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| melting point : | 75.00 to 77.00 °C. @ 760.00 mm Hg
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| boiling point : | 211.00 to 212.00 °C. @ 760.00 mm Hg
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| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
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| logP (o/w) : | 2.33 |
safety :
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| most important hazard(s) : | T N - Toxic, Dangerous for the environment. |
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R 24/25 - Toxic in contact with skin and if swallowed. R 34 - Causes burns. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 01/02 - Keep locked up and out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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| Oral Toxicity(LD50) : | |
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Oral-Rat 444.00 mg/kg
Oral-Rabbit 938.00 mg/kg
Oral-Mouse 383.00 mg/kg
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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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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.49 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.03 (μg/capita/day) |
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| recommendation for 2,5-xylenol flavor usage levels up to : |
| | 10.0000 ppm in the flavor.
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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 |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 2261 |
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| WGK Germany : | 3 |
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| | 2,5-dimethylphenol |
| (EINECS) number : | 202-461-5 |
| RTECS : | ZE5775000 for cas# 95-87-4 |
| chemidplus : | 000095874 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 95-87-4 |
| dtp/nci : | 2599 |
references :
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| | 2,5-dimethylphenol |
| fl. number : | 04.019 |
| jecfa number : | 706 |
| NIST Chemistry WebBook : | 769052725 |
| pubchem : | 150318 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |