1.02010-04-08 22:07:56 UTC2019-11-26 03:02:10 UTCFDB0081332-Methyl-2-butenalTiglic aldehyde, also known as 2-methyl-2-butenal, is a member of the class of compounds known as enals. Enals are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position. Tiglic aldehyde is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Tiglic aldehyde is a strong, fruit, and green tasting compound and can be found in a number of food items such as safflower, garden tomato, herbs and spices, and spearmint, which makes tiglic aldehyde a potential biomarker for the consumption of these food products. Tiglic aldehyde can be found primarily in feces and saliva. Tiglic aldehyde is an organic compound with the formula CH3CH=C(CH3)CHO. This colorless liquid is a building block in organic synthesis. It is an α,β-unsaturated aldehyde related to the better-known crotonaldehyde. The European rabbit, Oryctolagus cuniculus, uses 2-methyl-2-butenal as a pheromone. The rabbit pheromone, trans-2-methyl-2-butenal, was reported to be involved in the communication between species, defined under the class of "interomone." .2-Methylcrotonaldehyde2,3-DimethylacroleinC5H8O84.116484.057514878(2Z)-2-methylbut-2-enal(2Z)-2-methylbut-2-enal1115-11-3C\C=C(\C)C=OInChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3-ACWQBUSCFPJUPN-HYXAFXHYSA-Nlogp0.93logs-0.32solubility4.06e+01 g/llogp1.16pka_strongest_basic-4iupac(2Z)-2-methylbut-2-enalaverage_mass84.1164mono_mass84.057514878smilesC\C=C(\C)C=OformulaC5H8OinchiInChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3-inchikeyACWQBUSCFPJUPN-HYXAFXHYSA-Npolar_surface_area17.07refractivity26.4polarizability9.49rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs11044Specdb::CMs136409Specdb::CMs144143Specdb::MsIr4555Specdb::MsIr4556Specdb::NmrOneD19042Specdb::NmrOneD19043Specdb::NmrOneD19044Specdb::NmrOneD19045Specdb::NmrOneD19046Specdb::NmrOneD19047Specdb::NmrOneD19048Specdb::NmrOneD19049Specdb::NmrOneD19050Specdb::NmrOneD19051Specdb::NmrOneD19052Specdb::NmrOneD19053Specdb::NmrOneD19054Specdb::NmrOneD19055Specdb::NmrOneD19056Specdb::NmrOneD19057Specdb::NmrOneD19058Specdb::NmrOneD19059Specdb::NmrOneD19060Specdb::NmrOneD19061Specdb::MsMs290356Specdb::MsMs290357Specdb::MsMs290358Specdb::MsMs330019Specdb::MsMs330020Specdb::MsMs330021Specdb::MsMs2292711Specdb::MsMs2292712Specdb::MsMs2292713Specdb::MsMs2646852Specdb::MsMs2646853Specdb::MsMs2646854CeleriacType 1specificApium graveolens var. rapaceum278110Celery stalksType 1specificApium graveolens var. dulce117781ChivesType 1specificAllium schoenoprasum74900CornType 1specificZea mays4577Green beanType 1specificPhaseolus vulgaris3885anisicetherealfruitfruitygreennuttypungent