3-methylbutanone

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Structural formula
Structure of 3-methylbutanone
General
Surname 3-methylbutanone
other names

Methyl isopropyl ketone

Molecular formula C 5 H 10 O
Brief description

colorless liquid with a fruity odor

External identifiers / databases
CAS number 563-80-4
EC number 209-264-3
ECHA InfoCard 100.008.423
PubChem 11251
Wikidata Q2747560
properties
Molar mass 86.13 g mol −1
Physical state

liquid

density

0.81 g cm −3 (20 ° C)

Melting point

−92 ° C

boiling point

94 ° C

Vapor pressure

53.1 hPa (20 ° C)

solubility

moderate in water (6 g l −1 at 20 ° C)

Refractive index

1.3880 (20 ° C)

safety instructions
GHS hazard labeling from  Regulation (EC) No. 1272/2008 (CLP) , expanded if necessary
02 - Highly / extremely flammable

danger

H and P phrases H: 225
P: 210-233
MAK

Switzerland: 200 ml m −3 or 720 mg m −3

Toxicological data

148 mg kg −1 ( LD 50 ,  rat ,  oral )

As far as possible and customary, SI units are used. Unless otherwise noted, the data given apply to standard conditions . Refractive index: Na-D line , 20 ° C

3-methylbutanone (also called methyl isopropyl ketone ) is an organic chemical compound from the group of ketones . It is a structural isomer of 2-pentanone and 3-pentanone .

Extraction and presentation

It can be produced by the oxidation of 3-methyl-2-butanol or by the condensation of 2-butanone with formaldehyde .

properties

Physical Properties

3-Methylbutanone is a colorless liquid that boils at 94.4 ° C under normal pressure . The heat of vaporization at the boiling point is 32.35 kJ mol −1 . The vapor pressure function results according to Antoine according to log 10 (P) = A− (B / (T + C)) (P in bar, T in K) with A = 5.62559, B = 1806.925 and C = −40.618 in the temperature range from 253.3 to 362.1 K.

Safety-related parameters

3-methylbutanone forms highly flammable vapor-air mixtures. The compound has a flash point of −1 ° C. The explosion range is between 1.4% by volume (50 g / m 3 ) as the lower explosion limit (LEL) and 8% by volume (290 g / m 3 ) as the upper explosion limit (UEL). The ignition temperature is 475 ° C. The substance therefore falls into temperature class T1.

Individual evidence

  1. ↑ a b c d e f g h i j k l Entry for CAS no. 563-80-4 in the GESTIS substance database of the IFA , accessed on October 18, 2016(JavaScript required) .
  2. ↑ David R. Lide (Ed.): CRC Handbook of Chemistry and Physics . 90th edition. (Internet version: 2010), CRC Press / Taylor and Francis, Boca Raton, FL, Physical Constants of Organic Compounds, pp. 3-344.
  3. ↑ Entry on 3-methylbutanone in the Classification and Labeling Inventory of the European Chemicals Agency (ECHA), accessed on August 1, 2016. Manufacturers or distributors can expand the harmonized classification and labeling .
  4. ↑ Swiss Accident Insurance Fund (Suva): Limit values ​​- current MAK and BAT values (search for 563-80-4 or 3-methylbutanone ), accessed on November 2, 2015.
  5. ↑ Detlef Hoell, Thomas Mensing, Rafael Roggenbuck, Michael Sakuth, Egbert Sperlich, Thomas Urban, Wilhelm Neier, Guenther Strehlke: 2-Butanone. In: Ullmann's Encyclopedia of Industrial Chemistry . Wiley-VCH, Weinheim 2012, doi : 10.1002 / 14356007.a04_475.pub2 .
  6. ↑ a b Majer, V .; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, p. 300.
  7. ^ Stull, DR: Vapor Pressure of Pure Substances. Organic and Inorganic Compounds in Ind. Eng. Chem. 39 (1947) pp. 517-540, doi : 10.1021 / ie50448a022 .
  8. ^ A b c E. Brandes, W. Möller: Safety-related parameters - Volume 1: Flammable liquids and gases , Wirtschaftsverlag NW - Verlag für neue Wissenschaft GmbH, Bremerhaven 2003.

Web links

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