Products 30833-53-5

CAS 30833-53-5 appears in our catalog under these names: Monoisobutyl phthalate, 95%, Monoisobutyl Phthalate, >95% (HPLC), Monoisobutyl phthalic acid, 98%, Phthalic acid, monoisobutyl ester, Monoisobutyl phthalic acid. Offered by: Combi-blocks, TRC, AmBeed, Dr. Ehrenstorfer, GLPBio. Available pack sizes: 250mg, 1g, 5g, 100mg, 50mg, 10mg, 10 mg, 5 mg.

Structural formula: {0} (CAS {1})

Monoisobutyl phthalate is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isobutanol. It has a role as a human xenobiotic metabolite and a human urinary metabolite. It is functionally related to an isobutanol.

Source: ChEBI

Identity
Molecular formulaC12H14O4
Molecular weight222.24 g/mol
IUPAC name2-(2-methylpropoxycarbonyl)benzoic acid
InChIKeyRZJSUWQGFCHNFS-UHFFFAOYSA-N
SMILESCC(C)COC(=O)C1=CC=CC=C1C(=O)O

Computed by PubChem (NCBI)