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| IUPAC name : | 2-tert-butyl-4-methoxyphenol |
| InChI : | InChI=1/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3 |
| InChIKey : | MRBKEAMVRSLQPH-UHFFFAOYAK |
| SMILES : | CC(C)(C)C1=C(C=CC(=C1)OC)O |
| cas number : | 25013-16-5 |
| (EINECS) number : | 246-563-8 |
| fema number : | 2183 |
| molar refractivity : | 53.20 ± 0.3 cm3 |
| parachor : | 426.9 ± 4.0 cm3 |
| index of refraction : | 1.507 ± 0.02 |
| surface tension : | 32.7 ± 3.0 dyne/cm |
| density : | 1.009 ± 0.06 g/cm3 |
| polarizability : | 21.09 ± 0.5 10-24cm3 |
| XlogP : | 3.10 |
| XlogP3 : | 3.20 |
| molecular weight : | 180.2435400 (IUPAC) |
| formula : | C11 H16 O2 |
| BioActivity Analysis : | 48413346 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | 166.110 172.110 172.115 172.185 172.515 172.615 173.340 175.105 175.125 175.300 175.380 175.390 176.170 176.210 177.1010 177.1210 177.1350 178.3570 179.45 181.24 182.3169 |
Suppliers :
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| Moellhausen : | BHA
98% min. artifical kosher |
| Nanjing : | 2(3)-tert-Butyl-4-methoxyphenol
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| Penta : | butylated hydroxyanisole
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| Pfaltz & Bauer : | tert-Butylhydroxyanisole
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| Sigma-Aldrich-SAFC : | Butylated hydroxyanisole
≥98.5%, FCC, Kosher, FG |
organoleptics :
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| odor strength : | low |
odor description : at 100.00 %. | mild rubbery |
properties :
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| appearence : | white to pale yellow solid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| melting point : | 58.00 to 60.00 °C. @ 760.00 mm Hg
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| boiling point : | 268.00 to 269.00 °C. @ 760.00 mm Hg
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| vapor density : | 6.2 ( Air = 1 ) |
| flash point : | 235.00 °F. TCC ( 112.78 °C. )
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| logP (o/w) : | 3.00 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 40 - Possible risks of irreversable effects. S 02 - Keep out of the reach of children. S 22 - Do not breath dust. 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.
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| Oral Toxicity(LD50) : |
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Oral-Rat 2910.00 mg/kg Tokyo Metropolitan Research Laboratory of Public Health. Vol. 22, Pg. 231, 1970.
Intraperitoneal-Rat 32.00 mg/kg Toxicology Letters. Vol. 27, Pg. 15, 1985.
Oral-Mouse 1583.00 mg/kg Metropolitan Research Laboratory of Public Health. Vol. 22, Pg. 231, 1970.
Intraperitoneal-Mouse 29.00 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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safety references :
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| EPI System : | view |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Carcinogenic Potency Database : | 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 |
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| WGK Germany : | 2 |
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| | 2-tert-butyl-4-methoxyphenol
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| (EINECS) number : | 246-563-8 |
| RTECS : | SL1945000 for 25013-16-5 |
| chemidplus : | 000121006 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 25013-16-5 |
references :
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| | 2-tert-butyl-4-methoxyphenol
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| NIST Chemistry WebBook : | 4106913113 |
| pubchem : | 151612 |
Cosmetics :
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| Cosmetic uses : |
antioxidants
masking agents
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other :
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| CosIng : | cosmetic data |
| FDA Everything Added to Food in the United States (EAFUS) | View |