3-heptanone

Structural formula
General
Surname	3-heptanone
other names	Ethyl butyl ketone; Heptan-3-one; SFBC;
Molecular formula	C 7 H 14 O
Brief description	colorless liquid with a pungent odor
External identifiers / databases
EC number	203-388-1
ECHA InfoCard	100.003.081
PubChem	7802
Wikidata	Q1287838
properties
Molar mass	114.19 g mol −1
Physical state	liquid
density	0.82 g cm −3 (20 ° C)
Melting point	−37 ° C
boiling point	147 ° C
Vapor pressure	1.5 h Pa (20 ° C); 44 h Pa (61 ° C);
solubility	poorly soluble in water (4.3 g l −1 at 20 ° C); soluble with inorganic acids, bases, amines, isocyanates, ethers, alcohol and many organic solvents;
Refractive index	1.4085 (20 ° C, 589 nm)
safety instructions
H and P phrases	H: 226-332-319
	P: 210-280-305 + 351 + 338-304 + 340
MAK	Switzerland: 10 ml m −3 or 47 mg m −3
Toxicological data	2760 mg kg −1 ( LD 50 , rat , oral ) ; > 16,400 mg kg −1 ( LD 50 , rabbit , transdermal ) ;
	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-Heptanone is a chemical compound from the group of ketones .

Occurrence

3-heptanone occurs naturally as a component of the smell of mold.

Extraction and presentation

3-Heptanone can be obtained by catalytic dehydrogenation of 3-heptanol , by hydrogenation of the condensation product of propionaldehyde and methyl ethyl ketone or by reductive condensation of propanal with 2-butanone .

properties

3-Heptanone is a slightly volatile, colorless to yellowish liquid with a pungent odor that is sparingly soluble in water. It decomposes when heated. The miscibility with water is limited. As the temperature rises, the solubility of 3-heptanone in water decreases or the solubility of water in 3-heptanone increases.

Solubilities between 3-heptanone and water
temperature	° C	0	9.3	20.5	30.7	39.6	50.0	59.8	70.2	79.9	90.1
3-heptanone in water	in%	0.717	0.586	0.479	0.431	0.385	0.333	0.309	0.366	0.310	0.309
Water in 3-heptanone	in%	0.561	0.634	0.778	0.897	0.949	1.058	1.182	1,237	1.322	1.383

3-heptanone forms flammable vapor-air mixtures. The compound has a flash point of 38 ° C. The explosion range is between 1.4 vol.% As the lower explosion limit (LEL) and 8.8 vol.% As the upper explosion limit (UEL). The ignition temperature is 390 ° C. The substance therefore falls into temperature class T2.

use

3-heptanone is used as a solvent for resins and paints.

Individual evidence

↑ ^a ^b ^c ^d ^e ^f ^g ^h ⁱ ^j ^k ^l ^m ⁿ ^o Entry on 3-heptanone in the GESTIS substance database of the IFA , accessed on January 8, 2020(JavaScript required) .
↑ Enius: 3-heptanone
↑ ^a ^b ^c data sheet 3-heptanone (PDF) from Merck , accessed on December 20, 2012.
↑ Entry on Heptan-3-one 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 .
↑ Swiss Accident Insurance Fund (Suva): Limit values - current MAK and BAT values (search for 106-35-4 or 3-heptanone ), accessed on November 2, 2015.
↑ Wolfgang Legrum: Fragrances, between stench and fragrance: occurrence, properties and ... Springer DE, 2011, ISBN 3-8348-1245-5 , p. 67 ( limited preview in Google Book search).
^ Entry on 3-heptanone in the Hazardous Substances Data Bank , accessed December 20, 2012.
^ ^A ^b R. M. Stephenson: Mutual Solubilities: Water-Ketones, Water-Ethers, and Water-Gasoline-Alcohols in J. Chem. Eng. Data 37 (1992) 80-95, doi : 10.1021 / je00005a024 .

[GESTIS-1] ↑ ^a ^b ^c ^d ^e ^f ^g ^h ⁱ ^j ^k ^l ^m ⁿ ^o Entry on 3-heptanone in the GESTIS substance database of the IFA , accessed on January 8, 2020(JavaScript required) .

[enius-2] Enius: 3-heptanone

[Merck-3] ta sheet 3-heptanone (PDF) from Merck , accessed on December 20, 2012.

[CLP_100.003.081-4] Entry on Heptan-3-one 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 .

[5] Swiss Accident Insurance Fund (Suva): Limit values - current MAK and BAT values (search for 106-35-4 or 3-heptanone ), accessed on November 2, 2015.

[Wolfgang_Legrum-6] Wolfgang Legrum: Fragrances, between stench and fragrance: occurrence, properties and ... Springer DE, 2011, ISBN 3-8348-1245-5 , p. 67 ( limited preview in Google Book search).

[HSDB-7] Entry on 3-heptanone in the Hazardous Substances Data Bank , accessed December 20, 2012.

[Stephenson-8] A ^b R. M. Stephenson: Mutual Solubilities: Water-Ketones, Water-Ethers, and Water-Gasoline-Alcohols in J. Chem. Eng. Data 37 (1992) 80-95, doi : 10.1021 / je00005a024 .