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| IUPAC name : | 2,6-ditert-butyl-4-methylphenol |
| InChI : | InChI=1/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 |
| InChIKey : | NLZUEZXRPGMBCV-UHFFFAOYAU |
| SMILES : | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| cas number : | 128-37-0 |
| (EINECS) number : | 204-881-4 |
| beilstein number : | 1911640 |
| fema number : | 2184 |
| molar refractivity : | 69.73 ± 0.3 cm3 |
| parachor : | 556.0 ± 4.0 cm3 |
| index of refraction : | 1.498 ± 0.02 |
| surface tension : | 30.0 ± 3.0 dyne/cm |
| density : | 0.927 ± 0.06 g/cm3 |
| polarizability : | 27.64 ± 0.5 10-24cm3 |
| XlogP : | 5.30 |
| XlogP3-AA : | 5.30 |
| molecular weight : | 220.3504600 (IUPAC) |
| formula : | C15 H24 O |
| BioActivity Analysis : | 72334 |
| NMR Predictor : | Predict |
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| export tariff code : | 2907.19.00.10 |
| fda reg : | 137.350 166.110 172.110 172.115 172.185 172.615 173.340 175.105 175.125 175.300 175.380 175.390 176.170 176.210 177.1010 177.1210 177.1350 177.2260 177.2600 178.2010 178.3570 179.45 181.24 182.3173 |
Suppliers :
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| John D. Walsh : | Butylated Hydroxy Toluene
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| Moellhausen : | BHT
99% min. artifical kosher |
| Penta : | butylated hydroxytoluene
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| Sigma-Aldrich-SAFC : | Butylated hydroxytoluene
≥99%, FCC, Kosher |
| Vigon : | BHT Butylated Hydroxy Toluene
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organoleptics :
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| odor strength : | low |
odor description : at 100.00 %. | mild phenolic camphor |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | colorless crystals |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| melting point : | 70.00 to 73.00 °C. @ 760.00 mm Hg
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| boiling point : | 265.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 15.00000 mm/Hg @ 141.00 °C. |
| vapor density : | 7.6 ( Air = 1 ) |
| flash point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 5.10 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 07 - Keep container tightly closed. 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 37/39 - Wear suitable gloves and eye/face protection.
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| Oral Toxicity(LD50) : |
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Oral-Rat 890.00 mg/kg Neoplasma. Vol. 24, Pg. 253, 1977.
intravenous-Mouse 180.00 mg/kg Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.
Intraperitoneal-Mouse 138.00 mg/kg Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.
Oral-Mouse 650.00 mg/kg Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.
Oral-Guineapig 10700.00 mg/kg AMA Archives of Industrial Health. Vol. 11, Pg. 93, 1955.
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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 |
| IUCLID : | view |
| 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 |
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| WGK Germany : | 1 |
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| | 2,6-ditert-butyl-4-methylphenol
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| (EINECS) number : | 204-881-4 |
| RTECS : | 128-37-0 |
| chemidplus : | 000128370 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 128-37-0 |
| dtp/nci : | 6347 |
references :
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| | 2,6-ditert-butyl-4-methylphenol
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| NIST Chemistry WebBook : | 295656702 |
| pubchem : | 173480 |
Cosmetics :
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| Cosmetic uses : |
antioxidants
masking 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 |
| Household Products : | Search |