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| IUPAC name : | butan-2-ol |
| InChI : | InChI=1/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3 |
| InChIKey : | BTANRVKWQNVYAZ-UHFFFAOYAZ |
| SMILES : | CCC(C)O |
| cas number : | 78-92-2 |
| (EINECS) number : | 201-158-5 |
| eu annex : | 603-004-00-6 |
| beilstein number : | 0773649 |
| coe number : | 11735 |
| fl. number : | 02.121 |
| molar refractivity : | 22.07 ± 0.3 cm3 |
| parachor : | 205.4 ± 4.0 cm3 |
| index of refraction : | 1.393 ± 0.02 |
| surface tension : | 24.3 ± 3.0 dyne/cm |
| density : | 0.801 ± 0.06 g/cm3 |
| polarizability : | 8.75 ± 0.5 10-24cm3 |
| XlogP : | 0.70 |
| XlogP3 : | 0.60 |
| molecular weight : | 74.1216000 (IUPAC) |
| formula : | C4 H10 O |
| BioActivity Analysis : | 17389639 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | 172.515 176.180 |
Suppliers :
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| Penta : | 2-butanol
|
| Pfaltz & Bauer : | sec-Butanol
99% |
| Sigma-Aldrich-SAFC : | 2-Butanol
99% |
| TCI AMERICA : | 2-Butanol
>99.0%(GC) |
organoleptics :
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| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | sweet apricot |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.80800 @ 25.00 °C.
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| refractive index : | 1.39390 @ 25.00 °C.
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| melting point : | -115.00 °C. @ 760.00 mm Hg
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| boiling point : | 98.00 to 100.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 12.50000 mm/Hg @ 20.00 °C. |
| vapor density : | 2.6 ( Air = 1 ) |
| flash point : | 80.00 °F. TCC ( 26.67 °C. )
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| logP (o/w) : | 0.61 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 10 - Flammable. R 36/37 - Irritating to eyes and respiratory system. R 67 - Vapours may cause frowsiness and dizziness. S 02 - Keep out of the reach of children. S 07/09 - Keep container tightly closed and in well-ventilated place. S 13 - Keep away from food, drink and animal feedingstuffs. 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 46 - If swallowed, seek medical advice immediately and show this container or label.
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| Oral Toxicity(LD50) : |
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Oral-Rat 2193.00 mg/kg National Technical Information Service. Vol. OTS0557575
intravenous-Rat 138.00 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
Intraperitoneal-Rat 1193.00 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
Oral-Rabbit 4893.00 mg/kg Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
Intraperitoneal-Rabbit 277.00 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
intravenous-Mouse 764.00 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
Intraperitoneal-Mouse 771.00 mg/kg Shell Chemical Company. Unpublished Report. Vol. -, Pg. 2, 1961.
Intraperitoneal-Hamster 1218.00 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
Intraperitoneal-Guineapig 1067.00 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
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| Dermal Toxicity(LD50) : |
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Skin-Rat >2000.00 mg/kg National Technical Information Service. Vol. OTS0557575
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
|
| |
| recommendation for 2-butanol usage levels up to : |
| | not for fragrance 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 |
| AIDS Citations : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Env. Mutagen Info. Center : | Search |
| NLM Developmental and Reproductive Toxicity : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1120 |
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| WGK Germany : | 1 |
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| | butan-2-ol
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| (EINECS) number : | 201-158-5 |
| RTECS : | 78-92-2 |
| chemidplus : | 000078922 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 78-92-2 |
| dtp/nci : | 25499 |
references :
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| | butan-2-ol
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| fl. number : | 02.121 |
| NIST Chemistry WebBook : | 3946656178 |
| pubchem : | 149532 |
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 |