4-heptanone

Structural formula
General
Surname	4-heptanone
other names	Butyrone; Heptan-4-one ( IUPAC ); Dipropyl ketone; Diethylacetone;
Molecular formula	C 7 H 14 O
Brief description	colorless liquid with a sweet odor
External identifiers / databases
EC number	204-608-9
ECHA InfoCard	100.004.191
PubChem	31246
Wikidata	Q1287920
properties
Molar mass	114.19 g mol −1
Physical state	liquid
density	0.82 g cm −3
Melting point	−33 ° C
boiling point	144 ° C
Vapor pressure	6.9 h Pa (20 ° C); 15.5 hPa (40 ° C); 26.6 hPa (50 ° C);
solubility	poorly soluble in water (3.3 g l −1 at 25 ° C)
Refractive index	1.407 (20 ° C, 589 nm)
safety instructions
H and P phrases	H: 226-332
	P: 210-304 + 340
MAK	Switzerland: 50 ml m −3 or 235 mg m −3
	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

4-heptanone is a chemical compound from the group of ketones .

Extraction and presentation

4-Heptanone can be obtained by reacting butyric acid with precipitated calcium carbonate at 450 ° C.

properties

4-Heptanone is a slightly volatile, colorless liquid with a sweetish odor that boils at 144 ° C at normal pressure . According to Antoine, the vapor pressure function results from log ₁₀ (P) = A− (B / (T + C)) (P in bar, T in K) with A = 5.94977, B = 2199.856 and C = −46.879 in the temperature range from 296 to 417 K. The miscibility with water is limited. As the temperature rises, the solubility of 4-heptanone in water decreases or the solubility of water in 4-heptanone increases.

Solubilities between 4-heptanone and water
temperature	° C	0	9.6	19.5	29.7	39.7	50.0	60.6	70.3	80.9	90.2
4-heptanone in water	in%	0.707	0.537	0.457	0.448	0.347	0.379	0.320	0.302	0.319	0.316
Water in 4-heptanone	in%	0.52	0.62	0.69	0.81	0.86	0.90	1.12	1.23	1.20	1.17

4-heptanone forms flammable vapor-air mixtures. The compound has a flash point of 34 ° C. and a lower explosion limit (LEL) of 0.97% by volume (46 g · m ⁻³ ). The ignition temperature is 420 ° C. The substance therefore falls into temperature class T2.

Individual evidence

↑ ^a ^b ^c ^d ^e ^f ^g ^h ⁱ ^j ^k ^l ^m ⁿ ^o Entry on 4-heptanone in the GESTIS substance database of the IFA , accessed on January 9, 2019(JavaScript required) .
↑ Data sheet 4-heptanone (PDF) from Merck , accessed on December 20, 2012.
↑ Entry on Heptan-4-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 123-19-3 or 4-heptanone ), accessed on November 2, 2015.
^ Entry on 4-heptanone in the Hazardous Substances Data Bank , accessed December 20, 2012.
^ Stull, DR: Vapor Pressure of Pure Substances. Organic and Inorganic Compounds in Ind. Eng. Chem. 39 (1947) 517-540, doi : 10.1021 / ie50448a022
^ ^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 4-heptanone in the GESTIS substance database of the IFA , accessed on January 9, 2019(JavaScript required) .

[Merck-2] Data sheet 4-heptanone (PDF) from Merck , accessed on December 20, 2012.

[CLP_100.004.191-3] Entry on Heptan-4-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 .

[4] Swiss Accident Insurance Fund (Suva): Limit values - current MAK and BAT values (search for 123-19-3 or 4-heptanone ), accessed on November 2, 2015.

[HSDB-5] Entry on 4-heptanone in the Hazardous Substances Data Bank , accessed December 20, 2012.

[Stull-6] Stull, DR: Vapor Pressure of Pure Substances. Organic and Inorganic Compounds in Ind. Eng. Chem. 39 (1947) 517-540, doi : 10.1021 / ie50448a022

[Stephenson-7] 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 .