3-Heptanone

3-Heptanone
Names
IUPAC name
Heptan-3-one
Other names
Ethyl-butyl Ketone; 3-oxoheptane; Butyl ethyl ketone
Identifiers
106-35-4 YesY
3D model (Jmol) Interactive image
506161
ChEBI CHEBI:50139
ChemSpider 7514 YesY
ECHA InfoCard 100.003.081
EC Number 203-388-1
MeSH 3-Heptanone
PubChem 24901132
RTECS number MJ5250000
UN number 1224
Properties
C7H14O
Molar mass 114.19 g·mol−1
Appearance Colorless liquid
Odor powerful, fruity[1]
Density 0.812 g cm−3
Melting point −39 °C (−38 °F; 234 K)
Boiling point 146 to 149 °C (295 to 300 °F; 419 to 422 K)
1% (20 °C)[1]
Vapor pressure 4 mmHg (20 °C)[1]
Hazards
Safety data sheet [2]
R-phrases R10, R22
S-phrases S23
Flash point 41 °C (106 °F; 314 K)
Lethal dose or concentration (LD, LC):
2760 mg/kg (rat, oral)[3]
US health exposure limits (NIOSH):
PEL (Permissible)
TWA 50 ppm (230 mg/m3)[1]
REL (Recommended)
TWA 50 ppm (230 mg/m3)[1]
IDLH (Immediate danger)
1000 ppm[1]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references


3-Heptanone (butyl ethyl ketone), is a seven carbon ketone. It is a colorless liquid with a "green odor," also described to have a fruity scent. It is often used as a perfume/fragrance, as a solvent for cellulose, nitrocellulose, or vinyl resins, and as a synthetic building block in the preparation of other organic molecules.[4]

Preparation

3-Heptanone is produced industrially through reductive condensation of propanal with 2-butanone. This reaction does not immediately yield 3-Heptanone. Rather it results in the production of a ketone with an alkene group. This alkene can be removed with hydrogenation.

CH3CH2CHO + CH3C(O)CH2CH3 --> CH3CH2C(O)CH=CHCH2CH3 + H2 --> CH3CH2C(O)CH2CH2CH2CH3

References

  1. 1 2 3 4 5 6 "NIOSH Pocket Guide to Chemical Hazards #0266". National Institute for Occupational Safety and Health (NIOSH).
  2. http://www.chemicalbook.com/ProductMSDSDetailCB0852672_EN.htm External MSDS
  3. "Ethyl butyl ketone". Immediately Dangerous to Life and Health. National Institute for Occupational Safety and Health (NIOSH).
  4. Siegel, Hardo; Eggersdorfer (2012). "Ketones". Ullman's Encyclopedia or Industrial Chemistry. 20: 195. doi:10.1002/14356007.a15_077.
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