1.0 2010-04-08 22:04:35 UTC 2015-07-20 21:31:54 UTC FDB000499 2-Acetyl-3-ethylpyrazine Flavouring ingredient 1-(3-Ethyl-2-pyrazinyl)-ethanone 1-(3-Ethyl-2-pyrazinyl)ethanone 1-(3-Ethylpyrazinyl)-ethanone 1-(3-Ethylpyrazinyl)ethan-1-one 1-(3-Ethylpyrazinyl)ethanone 1-(3-Ethylpyrazinyl)ethanone, 9CI 2-Acetyl-3-ethyl-1,4-diazine 2-Ethyl-3-acetyl pyrazine 3-ethyl-2-acetylpyrazine Ethanone, 1-(3-ethyl-2-pyrazinyl)- Ethanone, 1-(3-ethylpyrazinyl)- FEMA 3250 Pyrazine, 2-acetyl-3-ethyl C8H10N2O 150.1778 150.079312952 1-(3-ethylpyrazin-2-yl)ethan-1-one 1-(3-ethylpyrazin-2-yl)ethanone 32974-92-8 CCC1=NC=CN=C1C(C)=O InChI=1S/C8H10N2O/c1-3-7-8(6(2)11)10-5-4-9-7/h4-5H,3H2,1-2H3 PPJSYGVFDJEMRP-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. Aryl alkyl ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Pyrazines Aromatic heteromonocyclic compound Aryl alkyl ketone Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyrazine Liquid logp 0.94 ALOGPS logs -0.69 ALOGPS solubility 3.05e+01 g/l ALOGPS logp 0.31 ChemAxon pka_strongest_acidic 14.6 ChemAxon pka_strongest_basic 0.28 ChemAxon iupac 1-(3-ethylpyrazin-2-yl)ethan-1-one ChemAxon average_mass 150.1778 ChemAxon mono_mass 150.079312952 ChemAxon smiles CCC1=NC=CN=C1C(C)=O ChemAxon formula C8H10N2O ChemAxon inchi InChI=1S/C8H10N2O/c1-3-7-8(6(2)11)10-5-4-9-7/h4-5H,3H2,1-2H3 ChemAxon inchikey PPJSYGVFDJEMRP-UHFFFAOYSA-N ChemAxon polar_surface_area 42.85 ChemAxon refractivity 40.99 ChemAxon polarizability 15.75 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10707 Specdb::CMs 148553 Specdb::MsIr 3411 Specdb::MsIr 3412 Specdb::MsMs 11684 Specdb::MsMs 11685 Specdb::MsMs 11686 Specdb::MsMs 18356 Specdb::MsMs 18357 Specdb::MsMs 18358 Specdb::MsMs 2673155 Specdb::MsMs 2673156 Specdb::MsMs 2673157 Specdb::MsMs 3032909 Specdb::MsMs 3032910 Specdb::MsMs 3032911 Specdb::NmrOneD 15422 Specdb::NmrOneD 15423 Specdb::NmrOneD 15424 Specdb::NmrOneD 15425 Specdb::NmrOneD 15426 Specdb::NmrOneD 15427 Specdb::NmrOneD 15428 Specdb::NmrOneD 15429 Specdb::NmrOneD 15430 Specdb::NmrOneD 15431 Specdb::NmrOneD 15432 Specdb::NmrOneD 15433 Specdb::NmrOneD 15434 Specdb::NmrOneD 15435 Specdb::NmrOneD 15436 Specdb::NmrOneD 15437 Specdb::NmrOneD 15438 Specdb::NmrOneD 15439 Specdb::NmrOneD 15440 Specdb::NmrOneD 15441 HMDB29410 #<Reference:0x000055ce3240dd90> chip corn earthy nutty oily popcorn potato tomato