Hexanal

Hexanal, also called hexanaldehyde or caproaldehyde is an alkyl aldehyde used in the flavor industry to produce fruity flavors.^[4] Its scent resembles freshly cut grass, like cis-3-hexenal.^[5] It is potentially useful as a natural extract that prevents fruit spoilage.^[6] It occurs naturally, and contributes to a hay-like "off-note" flavor in green peas.^[7]

Hexanal^[1][2][3]

Names
Preferred IUPAC name Hexanal
Other names Hexanaldehyde Aldehyde C-6 Caproic aldehyde Capronaldehyde
Identifiers
CAS Number	66-25-1 Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:88528 N
ChEMBL	ChEMBL280331 Y
ChemSpider	5949 Y
ECHA InfoCard	100.000.567
PubChem CID	6184
UNII	9DC2K31JJQ Y
CompTox Dashboard (EPA)	DTXSID2021604
InChI InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3 Y Key: JARKCYVAAOWBJS-UHFFFAOYSA-N Y InChI=1/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3 Key: JARKCYVAAOWBJS-UHFFFAOYAA
SMILES O=CCCCCC
Properties
Chemical formula	C6H12O
Molar mass	100.161 g·mol−1
Appearance	Clear liquid
Density	0.815
Melting point	< −20 °C (−4 °F; 253 K)
Boiling point	130 to 131 °C (266 to 268 °F; 403 to 404 K)
Magnetic susceptibility (χ)	-69.40·10−6 cm3/mol
Related compounds
Related aldehydes	Pentanal Heptanal
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is YN ?) Infobox references

The first synthesis of hexanal was published in 1907 by P. Bagard.^[8]

References

1. "MSDS for hexanal, from Physical & Theoretical Chemistry Laboratory". Oxford University. Archived from the original on 2005-04-13. Retrieved 2007-12-05.
2. Hexanal Archived 2016-03-04 at the Wayback Machine, SAFETY DATA SHEET, 2010-2015
3. "CAS: Hexanal". Archived from the original on 2015-12-01. Retrieved 2015-10-21.
4. Hexanal Product Data Sheet Archived 2007-12-13 at the Wayback Machine from Natural Advantage
5. Hexenal / Chemistry World, Royal Society of Chemistry, 27 November 2013
6. Sharkey, Jackie (23 June 2016). "Fruit spray developed by Guelph prof extends shelf life by 50 per cent". CBC News. Retrieved 21 August 2017.
7. Roland, Wibke S. U.; Pouvreau, Laurice; Curran, Julianne; van de Velde, Fred; de Kok, Peter M. T. (5 October 2016). "Flavor Aspects of Pulse Ingredients". Cereal Chemistry. 94 (1): 58–65. doi:10.1094/CCHEM-06-16-0161-FI.
8. Molecule of the Week: Hexanal / American Chemical Society