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2-Ethylhexanal

Chemical compound From Wikipedia, the free encyclopedia

2-Ethylhexanal

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]

Quick Facts Names, Identifiers ...
2-Ethylhexanal
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Names
IUPAC name
2-Ethylhexanal
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.004.179
EC Number
  • 204-596-5
UNII
UN number 1191
  • InChI=1S/C8H16O/c1-3-5-6-8(4-2)7-9/h7-8H,3-6H2,1-2H3
    Key: LGYNIFWIKSEESD-UHFFFAOYSA-N
  • CCCCC(CC)C=O
Properties
C8H16O
Molar mass 128.215 g·mol−1
Appearance colorless liquid
Density 0.820 g/cm3
Melting point < −60 °C
Boiling point 163 °C (325 °F; 436 K)
1.416
Hazards
GHS labelling:[1]
GHS05: CorrosiveGHS07: Exclamation markGHS08: Health hazard
Warning
H226, H315, H317, H319, H361
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)
ThumbHealth 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 [77 °F], 100 kPa).
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2-Ethylhexanal is synthesized by aldol condensation of two equivalents of butyraldehyde followed by hydrogenation of the intermediate 2-ethylhexenal.[3] The compound is chiral, but is mainly used as a racemic mixture.

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Synthesis of 2-Ethylhexanol

The n-butyraldehyde is made by hydroformylation of propylene, either in a self-contained plant or as the first step in a fully integrated facility. Most facilities make n-butanol and isobutanol in addition to 2-ethylhexanol. Alcohols prepared in this way are sometimes referred to as oxo alcohols. The overall process is very similar to that of the Guerbet reaction, by which it may also be produced.[4]

References

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