1.0 2010-04-08 22:07:56 UTC 2025-11-18 23:07:10 UTC FDB008133 2-Methyl-2-butenal Tiglic 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-Methylcrotonaldehyde 2,3-Dimethylacrolein C5H8O 84.1164 84.057514878 (2Z)-2-methylbut-2-enal (2Z)-2-methylbut-2-enal 1115-11-3 C\C=C(\C)C=O InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3- ACWQBUSCFPJUPN-HYXAFXHYSA-N belongs to the class of organic compounds known as enals. These 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. Enals Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Short-chain aldehydes Aldehyde Aliphatic acyclic compound Enal Hydrocarbon derivative Organic oxide Short-chain aldehyde logp 0.93 ALOGPS logs -0.32 ALOGPS solubility 4.06e+01 g/l ALOGPS logp 1.16 ChemAxon pka_strongest_basic -4 ChemAxon iupac (2Z)-2-methylbut-2-enal ChemAxon average_mass 84.1164 ChemAxon mono_mass 84.057514878 ChemAxon smiles C\C=C(\C)C=O ChemAxon formula C5H8O ChemAxon inchi InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3- ChemAxon inchikey ACWQBUSCFPJUPN-HYXAFXHYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 26.4 ChemAxon polarizability 9.49 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11044 Specdb::CMs 136409 Specdb::CMs 144143 Specdb::MsMs 290356 Specdb::MsMs 290357 Specdb::MsMs 290358 Specdb::MsMs 330019 Specdb::MsMs 330020 Specdb::MsMs 330021 Specdb::MsMs 2292711 Specdb::MsMs 2292712 Specdb::MsMs 2292713 Specdb::MsMs 2646852 Specdb::MsMs 2646853 Specdb::MsMs 2646854 Specdb::MsIr 4555 Specdb::MsIr 4556 Specdb::NmrOneD 19042 Specdb::NmrOneD 19043 Specdb::NmrOneD 19044 Specdb::NmrOneD 19045 Specdb::NmrOneD 19046 Specdb::NmrOneD 19047 Specdb::NmrOneD 19048 Specdb::NmrOneD 19049 Specdb::NmrOneD 19050 Specdb::NmrOneD 19051 Specdb::NmrOneD 19052 Specdb::NmrOneD 19053 Specdb::NmrOneD 19054 Specdb::NmrOneD 19055 Specdb::NmrOneD 19056 Specdb::NmrOneD 19057 Specdb::NmrOneD 19058 Specdb::NmrOneD 19059 Specdb::NmrOneD 19060 Specdb::NmrOneD 19061 HMDB0031512 Celeriac Type 1 specific Apium graveolens var. rapaceum 278110 Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Chives Type 1 specific Allium schoenoprasum 74900 Corn Type 1 specific Zea mays 4577 Green bean Type 1 specific Phaseolus vulgaris 3885 anisic ethereal fruit fruity green nutty pungent