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2-Ethylhexanal

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2-Ethylhexanal
Names
IUPAC name 2-Ethylhexanal
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.004.179 Edit this at Wikidata
EC Number
  • 204-596-5
PubChem CID
UNII
UN number 1191
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3Key: LGYNIFWIKSEESD-UHFFFAOYSA-N
SMILES
  • CCCCC(CC)C=O
Properties
Chemical formula C8H16O
Molar mass 128.215 g·mol
Appearance colorless liquid
Density 0.820 g/cm
Melting point <-60
Boiling point 163 °C (325 °F; 436 K)
Refractive index (nD) 1.416
Hazards
GHS labelling:
Pictograms GHS05: CorrosiveGHS07: Exclamation markGHS08: Health hazard
Signal word Warning
Hazard statements H226, H315, H317, H319, H361
Precautionary statements P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P272, P280, P302+P352, P303+P361+P353, P305+P351+P338, P318, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, P501
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 2: Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur. Flash point between 38 and 93 °C (100 and 200 °F). E.g. diesel fuelInstability 1: Normally stable, but can become unstable at elevated temperatures and pressures. E.g. calciumSpecial hazards (white): no code
2 2 1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound

2-Ethylhexanal is the organic compound with the formula CH3CH2CH2CH2CH(C2H5)CHO. A colorless liquid, it is produced on a large scale industrially as a precursor to 2-ethylhexanoic acid and 2-ethylhexanol, both used as precursors to plasticizers. It was studied in the detergent industry since the 1930s.

2-Ethylhexanal is synthesized by aldol condensation of two equivalents of butyraldehyde followed by hydrogenation of the intermediate 2-ethylhexenal. The compound is chiral, but is mainly used as a racemic mixture.

References

  1. "2-Ethylhexanal". pubchem.ncbi.nlm.nih.gov.
  2. Gangloff, W. C. (1938). "Changing trends in detergents". Oil and Soap. 15 (1): 14–17. doi:10.1007/BF02549560. ISSN 2331-3420.
  3. Kohlpaintner, Christian; Schulte, Markus; Falbe, Jürgen; Lappe, Peter; Weber, Jürgen (2008). "Aldehydes, Aliphatic". Ullmann's Encyclopedia of Industrial Chemistry. doi:10.1002/14356007.a01_321.pub2. ISBN 978-3-527-30673-2.
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