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| IUPAC name : | butan-2-one |
| InChI : | InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H3 |
| InChIKey : | ZWEHNKRNPOVVGH-UHFFFAOYAW |
| SMILES : | CCC(=O)C |
| cas number : | 78-93-3 |
| (EINECS) number : | 201-159-0 |
| eu annex : | 606-002-00-3 |
| beilstein number : | 0741880 |
| fema number : | 2170 |
| coe number : | 753 |
| jecfa number : | 278 |
| fl. number : | 07.053 |
| molar refractivity : | 20.60 ± 0.3 cm3 |
| parachor : | 196.3 ± 4.0 cm3 |
| index of refraction : | 1.367 ± 0.02 |
| surface tension : | 21.0 ± 3.0 dyne/cm |
| density : | 0.786 ± 0.06 g/cm3 |
| polarizability : | 8.17 ± 0.5 10-24cm3 |
| XlogP : | 0.40 |
| molecular weight : | 72.1057200 |
| formula : | C4 H8 O |
| BioActivity Analysis : | 17389672 |
| NMR Predictor : | Predict |
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| export tariff code : | 2914.12.00.00 |
| fda reg : | 172.515 172.859 175.105 175.320 177.1200 |
Suppliers :
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| Cargill - Alfrebro : | METHYL ETHYL KETONE
natural, Kosher |
| Mooreganics : | 2-Butanone (Methyl Ethyl Ketone)
Natural (Organic Compliant) |
| Penta : | 2-butanone
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| Penta : | methyl ethyl ketone
natural |
| Sigma-Aldrich-SAFC : | 2-Butanone
≥99.5%, FCC, Kosher, FG Odor: ethereal |
organoleptics :
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| odor type : | ethereal |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | acetone-like ethereal fruity camphor |
properties :
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| appearence : | colorless clear liquid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.80100 to 0.80300 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.665 to 6.682
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| refractive index : | 1.37700 to 1.38000 @ 20.00 °C.
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| melting point : | -85.00 to -87.00 °C. @ 760.00 mm Hg
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| boiling point : | 78.60 to 80.00 °C. @ 760.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| vapor pressure : | 71.00000 mm/Hg @ 20.00 °C. |
| vapor density : | 2.49 ( Air = 1 ) |
| flash point : | 26.00 °F. TCC ( -3.33 °C. )
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| logP (o/w) : | 0.29 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 11 - Highly flammable. R 36 - Irritating to eyes. R 66 - Repeated exposure may cause skin dryness or cracking. R 67 - Vapours may cause frowsiness and dizziness. S 09 - Keep container in a well-ventilated place. S 16 - Keep away from sources of ignition - No Smoking.
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| Oral Toxicity(LD50) : |
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Oral-Rat [sex: M] 5490.00 mg/kg (Smyth et al., 1962)
Oral-Rat 2730.00 mg/kg (Kimura et al., 1971a)
Oral-Rat 3980.00 mg/kg (Union Carbide Corp., 1956)
Oral-Rat [sex: F] 5525.00 mg/kg (Pozzani et al., 1959)
Oral-Mouse [sex: M] 3137.00 mg/kg (Zakhari et al., 1977)
Oral-Mouse [sex: M] 4050.00 mg/kg (Tanii et al., 1986)
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 6840.00 mg/kg SHELL* MSDS-5390-4
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| Inhalation Toxicity(LC50) : |
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Inhalation-Muskrat 32.00 gm/M3/4hour CUTOEX 1,47,1993
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 96.00 (μg/capita/day) |
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| recommendation for methyl ethyl ketone usage levels up to : |
| | not for fragrance use.
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| recommendation for methyl ethyl ketone usage levels up to : |
| | 270.0000 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 |
| 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 1193 |
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| WGK Germany : | 1 |
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| | butan-2-one
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| (EINECS) number : | 201-159-0 |
| RTECS : | 78-93-3 |
| chemidplus : | 000078933 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 78-93-3 |
references :
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| | butan-2-one
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| fl. number : | 07.053 |
| jecfa number : | 278 |
| NIST Chemistry WebBook : | 677523036 |
| pubchem : | 149533 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
solvents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| Household Products : | Search |