Isobutyric Acid
Isobutyric synonyms
Kyselina isomaselna [Czech]; ALQ; alpha-Methylpropionic acid; Isobutyric acid [UN2529] [Flammable liquid]; alpha-methylpropionic acid; Isopropylformic acid; 2-Methyl-Propionic Acid; Iso-butyric acid; Isobutyrate; 2-methylpropanoic acid; alpha-Methylpropanoic acid
Graphical representations:
View large 3D structure
Molecular Formula: C4H8O2
Natural Isotopic Abundance Mass: 88.10512
Mono-Isotopic Molecular Masses:
- C12N14: 88.052429501
- C13N14: 92.0658488522
- C12N15: 88.052429501
- C13N15: 92.0658488522
InChI string: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
PubChem Compound (CID): 6590CAS Registry number: 19455-20-0 533-90-4 79-31-2 996-30-5 22228-82-6
Sigma-Aldrich: I1754_SIGMA
ChEBI: CHEBI:16135
HSDB: 5228
ChemIDplus: 000079312
Caswell No.: 503AA
ChemSpider: 13886746
MMDB: 26517.4
EINECS: 201-195-7
NMRShiftDB: 10016777
EPA Pesticide Chemical Code: 101502
CambridgeSoft Corporation: 5081
EPA DSSTox: 1636
DrugBank: DB04305
KEGG Compound ID: C02632
Beilstein Handbook Reference: 4-02-00-00843
NIST Chemistry WebBook: 1130356798
PDB Compound ID: ALQ ISB
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)