1.0 2010-04-08 22:09:51 UTC 2019-11-26 03:05:31 UTC FDB011832 2-Methyl-2-pentenal Constituent of onion (Allium cepa) and chive leaves (Allium schoenoprasum)and is also found in fruits of cranberry, guava, grape, plum, in mustard, cognac, black tea, coffee, roasted peanuts, walnut and other foodstuffs. Flavouring ingredient. (2E)-2-Methyl-2-pentenal (E)-2-Methyl-2-pentenal α-methyl-α-methylacrolein α-methyl-β-ethylacrolein β-ethyl-α-methylacrolein 2-Methyl-(2e)-2-pentenal 2-methyl-(E)-2-pentenal 2-Methyl-2-penten-1-al 2-Methyl-2-pentene-1-al 2-Methyl-2-pentenoic aldehyde 2-Methyl-3-ethylacrolein 2-Methylpent-2-enal 2-Methylpentenal 2-Pentenal, 2-methyl- 2-Pentenal, 2-methyl-, (2E)- 2-Propylidenepropionaldehyde 2,4-Dimethylcrotonaldehyde 3-Ethyl-2-methylacraldehyde alpha -Methyl-alpha -methylacrolein alpha -Methyl-beta -ethylacrolein Alpha-methyl-beta-ethylacrolein beta -Ethyl-alpha -methylacrolein Beta-ethyl-alpha-methylacrolein CH3CH2CH=C(CH3)CHO FEMA 3194 trans-2-Methyl-2-pentenal C6H10O 98.143 98.073164942 (2Z)-2-methylpent-2-enal (2Z)-2-methylpent-2-enal 623-36-9 CC\C=C(\C)C=O InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4- IDEYZABHVQLHAF-XQRVVYSFSA-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 Aldehydes Hydrocarbon derivatives Organic oxides Aldehyde Aliphatic acyclic compound Enal Hydrocarbon derivative Organic oxide logp 1.74 ALOGPS logs -1.07 ALOGPS solubility 8.26e+00 g/l ALOGPS logp 1.6 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (2Z)-2-methylpent-2-enal ChemAxon average_mass 98.143 ChemAxon mono_mass 98.073164942 ChemAxon smiles CC\C=C(\C)C=O ChemAxon formula C6H10O ChemAxon inchi InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3/b6-4- ChemAxon inchikey IDEYZABHVQLHAF-XQRVVYSFSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 31 ChemAxon polarizability 11.5 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6209 Specdb::MsIr 6210 Specdb::CMs 9503 Specdb::CMs 150340 Specdb::NmrOneD 121718 Specdb::NmrOneD 121719 Specdb::NmrOneD 121720 Specdb::NmrOneD 121721 Specdb::NmrOneD 121722 Specdb::NmrOneD 121723 Specdb::NmrOneD 121724 Specdb::NmrOneD 121725 Specdb::NmrOneD 121726 Specdb::NmrOneD 121727 Specdb::NmrOneD 121728 Specdb::NmrOneD 121729 Specdb::NmrOneD 121730 Specdb::NmrOneD 121731 Specdb::NmrOneD 121732 Specdb::NmrOneD 121733 Specdb::NmrOneD 121734 Specdb::NmrOneD 121735 Specdb::NmrOneD 121736 Specdb::NmrOneD 121737 Specdb::MsMs 286960 Specdb::MsMs 286961 Specdb::MsMs 286962 Specdb::MsMs 325699 Specdb::MsMs 325700 Specdb::MsMs 325701 Specdb::MsMs 2692016 Specdb::MsMs 2692017 Specdb::MsMs 2692018 Specdb::MsMs 2989985 Specdb::MsMs 2989986 Specdb::MsMs 2989987 HMDB33714 #<Reference:0x000055ce31c814f0> Alcoholic beverages Unknown generic Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Chives Type 1 specific Allium schoenoprasum 74900 Coffee and coffee products Unknown generic Fruits Unknown generic Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Green tea Type 1 Herbal tea Type 1 Nuts Unknown generic Onion-family vegetables Unknown generic Prickly pear Type 1 specific Opuntia 106975 Red onion Type 1 Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Safflower Type 1 specific Carthamus tinctorius 4222 0.02 0.02 0.02 mg/100 g Tea Type 1 specific Camellia sinensis 4442 Welsh onion Type 1 specific Allium fistulosum 35875 fruity gassy grass green powerful