3-Heptanone
Names | |
---|---|
IUPAC name
Heptan-3-one | |
Other names
Ethyl-butyl Ketone; 3-oxoheptane; Butyl ethyl ketone | |
Identifiers | |
106-35-4 | |
3D model (Jmol) | Interactive image |
506161 | |
ChEBI | CHEBI:50139 |
ChemSpider | 7514 |
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): | |
LD50 (median dose) |
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 2 3 4 5 6 "NIOSH Pocket Guide to Chemical Hazards #0266". National Institute for Occupational Safety and Health (NIOSH).
- ↑ http://www.chemicalbook.com/ProductMSDSDetailCB0852672_EN.htm External MSDS
- ↑ "Ethyl butyl ketone". Immediately Dangerous to Life and Health. National Institute for Occupational Safety and Health (NIOSH).
- ↑ Siegel, Hardo; Eggersdorfer (2012). "Ketones". Ullman's Encyclopedia or Industrial Chemistry. 20: 195. doi:10.1002/14356007.a15_077.
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