1.02010-04-08 22:05:43 UTC2019-11-26 02:58:42 UTCFDB0032442-EthylbutanalOccurs in canned foods, bread crusts, melon, french fries, maize and scallops. Flavouring ingredient. 2-Ethylbutanal is found in many foods, some of which are mollusks, cereals and cereal products, potato, and fruits.(C2H5)2CHCHOα-ethylbutyraldehyde2-Ethyl-butanal2-Ethylbutyraldehyde2-Ethylbutyraldehyde [UN1178] [Flammable liquid]2-Ethylbutyraldehyde, 8CI2-Ethylbutyric aldehyde2-Ethylbutyric aledhyde3-FormylpentaneAldehyde 2-ethylbutyriqueAlpha-ethylbutanalAlpha-ethylbutyraldehydeButanal, 2-ethyl-Butyraldehyde, 2-ethyl-Diethyl acetaldehydeDiethylacetaldehydeEthyl butyraldehydeEthylbutyraldehydeFEMA 2426C6H12O100.1589100.0888150062-ethylbutanal2-ethylbutyraldehyde97-96-1CCC(CC)C=OInChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3UNNGUFMVYQJGTD-UHFFFAOYSA-N belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide group.Organic oxidesOrganic compoundsOrganic oxygen compoundsOrganic oxidesAliphatic acyclic compoundsAldehydesHydrocarbon derivativesAldehydeAliphatic acyclic compoundCarbonyl groupHydrocarbon derivativeOrganic oxideOrganooxygen compoundLiquidlogp2.19logs-1.19solubility6.42e+00 g/lmelting_pointMp -89°logp1.75pka_strongest_acidic19.14pka_strongest_basic-7iupac2-ethylbutanalaverage_mass100.1589mono_mass100.088815006smilesCCC(CC)C=OformulaC6H12OinchiInChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3inchikeyUNNGUFMVYQJGTD-UHFFFAOYSA-Npolar_surface_area17.07refractivity30.12polarizability12.08rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs1672Specdb::CMs25622Specdb::CMs28441Specdb::CMs29343Specdb::CMs100648Specdb::CMs100649Specdb::CMs155835Specdb::MsIr4207Specdb::MsIr4208Specdb::NmrOneD4006Specdb::NmrOneD4293Specdb::NmrOneD162969Specdb::NmrOneD162970Specdb::NmrOneD162971Specdb::NmrOneD162972Specdb::NmrOneD162973Specdb::NmrOneD162974Specdb::NmrOneD162975Specdb::NmrOneD162976Specdb::NmrOneD162977Specdb::NmrOneD162978Specdb::NmrOneD162979Specdb::NmrOneD162980Specdb::NmrOneD162981Specdb::NmrOneD162982Specdb::NmrOneD162983Specdb::NmrOneD162984Specdb::NmrOneD162985Specdb::NmrOneD162986Specdb::NmrOneD162987Specdb::NmrOneD162988Specdb::MsMs77034Specdb::MsMs77035Specdb::MsMs77036Specdb::MsMs137034Specdb::MsMs137035Specdb::MsMs137036Specdb::MsMs2471508Specdb::MsMs2471509Specdb::MsMs2471510Specdb::MsMs2494019Specdb::MsMs2494020Specdb::MsMs2494021HMDB31220#<Reference:0x0000555675dc6038>Breakfast cerealType 2specificCereals and cereal productsUnknowngenericFruitsUnknowngenericMollusksUnknowngeneric6447PotatoType 1specificSolanum tuberosum4113cocoaetherealfruitygreensweet