| 2D Structure | |
| CID | 5321950 |
| Target | AR , CYP1A2 , PGR |
| IUPAC Name | (E)-2-methylbut-2-enal |
| InChI | InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3+ |
| InChI Key | ACWQBUSCFPJUPN-HWKANZROSA-N |
| Canonical SMILES | CC=C(C)C=O |
| Isomeric SMILES | C/C=C(\C)/C=O |
| Molecular Formula | C5H8O |
| Molecular Weight | 84.12 |
| synonyms | ['trans-2-Methyl-2-butenal', 'Tiglic aldehyde', '497-03-0', 'Tiglaldehyde', '(E)-2-Methylbut-2-enal', 'Tiglinaldehyde', '1115-11-3', '2-methylbut-2-enal', '2,3-Dimethylacrolein', '2-Butenal, 2-methyl-', '2-Butenal, 2-methyl-, (2E)-', '2-Methylcrotonaldehyde', 'trans-Tiglaldehyde', '2-Butenal, 2-methyl-, (E)-', 'trans-2,3-Dimethylacrolein', '2-METHYL-2-BUTENAL', '2-methyl-(E)-2-butenal', 'NSC-2179', 'ACWQBUSCFPJUPN-HWKANZROSA-', '2-METHYL-2-BUTENAL [FHFI]', '(2Z)-2-methylbut-2-enal', 'DTXSID00859414', '2,3Dimethylacrolein', '2Methylcrotonaldehyde', 'alpha-methylcrotonaldehyde', 'alpha,beta-dimethylacrolein', 'DTXCID70809729', 'inchi=1/c5h8o/c1-3-5(2)4-6/h3-4h,1-2h3/b5-3+', 'E-2-Methyl-2-butenal', 'trans-Methyl-2-butenal', 'Crotonaldehyde, 2-methyl-, (E)-', 'FEMA No. 3407', 'Tiglic acid aldehyde', 'MFCD00006977', '(2E)-2-methylbut-2-enal', '27ZVE2K81C', 'DTXSID1049308', '(e)-2-methyl-2-butenal', '6038-09-1', 'NSC 2179', 'trans-2-Methylcrotonaldehyde', 'Tigaldehyde, trans-', '2-Methyl-2-butenal, trans-', '2-Methylcrotonaldehyde, (E)-', '2-Methyl-2-butenal, (E)-', '2-Butenal,2-methyl-(Z)-', '2-Methylbut-2-en-1-al, (E)-', 'EINECS 207-833-0', 'UNII-27ZVE2K81C', 'AI3-24379', 'CCRIS 8097', 'Tiglic aldehyde, >=96%', 'trans-2-methyl-but-2-enal', 'CHEMBL53493', 'DTXCID0029264', '2-Butenal,2-methyl-, (Z)-', 'NSC2179', 'Tox21_202837', 'AKOS015912688', 'NCGC00260383-01', 'CAS-497-03-0', 'NS00022239', 'T1003', 'trans-2-Methyl-2-butenal, analytical standard', 'D92433', 'EN300-109078', 'EN300-304066', 'Q3045687', 'trans-2-Methyl-2-butenal, sum of isomers, >=99%, FG'] |
From Pubchem