|
gptkbp:instanceOf
|
gptkb:chemical_compound
ketone
|
|
gptkbp:appearance
|
colorless liquid
|
|
gptkbp:aroma
|
sharp, sweet, acetone-like
|
|
gptkbp:autoignitionTemperature
|
515 °C
|
|
gptkbp:biodegradable
|
readily biodegradable
|
|
gptkbp:boilingPoint
|
79.6 °C
|
|
gptkbp:CASNumber
|
78-93-3
|
|
gptkbp:chemicalFormula
|
C4H8O
|
|
gptkbp:countryRegulation
|
regulated as a volatile organic compound in the US
|
|
gptkbp:density
|
0.805 g/cm³
|
|
gptkbp:EC_number
|
201-159-0
|
|
gptkbp:flammability
|
highly flammable
|
|
gptkbp:flashPoint
|
-6 °C
|
|
gptkbp:foundIn
|
industrial processes
trace amounts in some foods
|
|
gptkbp:hasLogP
|
0.29
|
|
gptkbp:hasSMILES
|
CC(=O)C
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
2-butanone
|
|
gptkbp:inChI
|
InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
|
|
gptkbp:inChIKey
|
ZWEHNKRNPOVVGH-UHFFFAOYSA-N
|
|
gptkbp:IUPACName
|
gptkb:butan-2-one
|
|
gptkbp:LD50
|
2737 mg/kg (rat, oral)
|
|
gptkbp:meltingPoint
|
-86 °C
|
|
gptkbp:molecularWeight
|
72.11 g/mol
|
|
gptkbp:NFPA704
|
Health 1, Flammability 3, Instability 0
|
|
gptkbp:otherName
|
gptkb:methyl_ethyl_ketone
|
|
gptkbp:precautionaryStatements
|
P210, P261, P305+P351+P338
|
|
gptkbp:productionMethod
|
dehydrogenation of 2-butanol
|
|
gptkbp:PubChem_CID
|
6569
|
|
gptkbp:refractiveIndex
|
1.38 (20 °C)
|
|
gptkbp:relatedTo
|
gptkb:3-pentanone
gptkb:acetone
|
|
gptkbp:riskFactor
|
fire hazard
irritant
H225, H319, H336
narcotic effects
|
|
gptkbp:solubility
|
29 g/100 mL (20 °C)
|
|
gptkbp:spectralData
|
NMR, IR, MS available
|
|
gptkbp:storage
|
store in cool, well-ventilated area
|
|
gptkbp:structure
|
CH3COC2H5
|
|
gptkbp:UNNumber
|
1193
|
|
gptkbp:uses
|
solvent
varnish
plastic production
paint remover
|
|
gptkbp:vaporPressure
|
89 mmHg (20 °C)
|
|
gptkbp:bfsParent
|
gptkb:MEK
|
|
gptkbp:bfsLayer
|
6
|