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| IUPAC name : | butan-1-ol |
| InChI : | InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 |
| InChIKey : | LRHPLDYGYMQRHN-UHFFFAOYAS |
| SMILES : | CCCCO |
| cas number : | 71-36-3 |
| (EINECS) number : | 200-751-6 |
| eu annex : | 603-004-00-6 |
| beilstein number : | 0969148 |
| fema number : | 2178 |
| coe number : | 52 |
| jecfa number : | 85 |
| fl. number : | 02.004 |
| molar refractivity : | 22.11 ± 0.3 cm3 |
| parachor : | 208.0 ± 4.0 cm3 |
| index of refraction : | 1.395 ± 0.02 |
| surface tension : | 26.0 ± 3.0 dyne/cm |
| density : | 0.805 ± 0.06 g/cm3 |
| polarizability : | 8.76 ± 0.5 10-24cm3 |
| XlogP : | 0.90 |
| XlogP3 : | 0.90 |
| molecular weight : | 74.1216000 (IUPAC) |
| formula : | C4 H10 O |
| BioActivity Analysis : | 17388872 |
| NMR Predictor : | Predict |
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| export tariff code : | 2905.13.0000 |
| fda reg : | 172.515 172.560 175.105 175.320 176.180 176.200 176.210 177.1200 177.1440 177.1650 177.2800 73.100 |
Suppliers :
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| Advanced Biotech : | butanol
98% min. natural Odor: Slight Whiskey |
| Berje : | Butyl Alcohol
|
| Cargill - Alfrebro : | n-BUTANOL (EU NAT)
natural, Kosher |
| Fleurchem : | butyl alcohol
natural |
| Inoue : | BUTANOL
|
| Penta : | butyl alcohol
|
| Penta : | butyl alcohol
natural |
| Sigma-Aldrich-SAFC : | Butyl alcohol
≥99.5%, FCC, Kosher |
| Sigma-Aldrich-SAFC : | Butyl alcohol
≥99.5%, natural, FCC, Kosher |
| Vigon : | Butyl Alcohol Normal
Natural |
| Vigon : | Butyl Alcohol Normal
Synthetic |
organoleptics :
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| odor type : | fermented |
| odor strength : | medium |
odor description : at 10.00 % in dipropylene glycol. | fusel oil sweet balsam |
| substantivity : | 4 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.80700 to 0.80900 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.715 to 6.732
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| refractive index : | 1.39900 @ 20.00 °C.
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| melting point : | -89.00 to -88.00 °C. @ 760.00 mm Hg
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| boiling point : | 117.00 to 119.00 °C. @ 760.00 mm Hg
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| boiling point : | 57.00 to 58.00 °C. @ 50.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| vapor pressure : | 6.70000 mm/Hg @ 25.00 °C. |
| vapor density : | 2.5 ( Air = 1 ) |
| flash point : | 95.00 °F. TCC ( 35.00 °C. )
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| logP (o/w) : | 0.88 |
| 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 10 - Flammable. R 22 - Harmful if swallowed. R 37/38 - Irritating to respiratory system and skin. R 41 - Risk of serious damage to eyes. 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 16 - Keep away from sources of ignition - No Smoking. S 23 - Do not breath vapour. 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 37/39 - Wear suitable gloves and eye/face protection. 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 790.00 mg/kg South African Medical Journal. Vol. 43, Pg. 795, 1969.
intravenous-Rat 310.00 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
Intraperitoneal-Rat 1122.00 mg/kg EHP, Environmental Health Perspectives. Vol. 61, Pg. 321, 1985.
Oral-Rabbit 3484.00 mg/kg Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
Oral-Mouse 2680.00 mg/kg Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(11), Pg. 57, 1981.
intravenous-Mouse 377.00 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
Intraperitoneal-Mouse 254.00 mg/kg Research Communications in Chemical Pathology and Pharmacology. Vol. 26, Pg. 75, 1979.
Oral-Bird - wild 2500.00 mg/kg Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 3400.00 mg/kg Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 10, 1974.
Subcutaneous-Mouse 3200.00 mg/kg Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.
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| Inhalation Toxicity(LC50) : |
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Inhalation-Rat 8000.00 ppm/4H Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 10, 1974.
Inhalation-Mammal ? 28400.00 mg/m3 Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
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safety in use :
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| recommendation for butyl alcohol usage levels up to : |
| | not for fragrance use.
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| recommendation for butyl alcohol usage levels up to : |
| | 35.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| IUCLID : | view |
| EPA-Iris : | IRIS |
| NIOSH International Chemical Safety Cards : | search |
| NIOSH Pocket Guide : | search |
| NLM Hazardous Substances Data Bank : | search |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | 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 |
| WISER : | UN 1120 |
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| WGK Germany : | 1 |
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| | butan-1-ol
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| (EINECS) number : | 200-751-6 |
| RTECS : | 71-36-3 |
| chemidplus : | 000071363 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 71-36-3 |
| dtp/nci : | 62782 |
references :
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| | butan-1-ol
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| fl. number : | 02.004 |
| jecfa number : | 85 |
| NIST Chemistry WebBook : | 4004658857 |
| pubchem : | 149208 |
Cosmetics :
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| Cosmetic uses : |
denaturants
perfuming agents
solvents
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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 |