Products 40321-99-1

CAS 40321-99-1 appears in our catalog under these names: mono-(2-Ethyl-5-Hydroxyhexyl)-Phthalate, Mono(2-ethyl-5-hydroxyhexyl) Phthalate (Mixture of Diastereomers), >95% (HPLC), Phthalic acid, mono-2-ethyl-5-hydroxyhexyl ester 100 µg/mL in Methyl-tert-butyl ether, MONO-(2-ETHYL-5-HYDROXYHEXYL) PHTHALATE,, Mono(2-ethyl-5-hydroxyhexyl) Phthalate (Mixture of Diastereomers), 98%, 98%. Offered by: Chemat Brand, TRC, Dr. Ehrenstorfer, Sigma-Aldrich, Chemat. Available pack sizes: on request, 2,5mg, 25mg, 1ml, 50MG, 5mg, 10mg, 5 mg.

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

Mono(2-ethyl-5-hydroxyhexyl) phthalate is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the primary hydroxy group of 2-ethylhexane-1,5-diol. It has a role as a human xenobiotic metabolite and a human urinary metabolite.

Source: ChEBI

Identity
Molecular formulaC16H22O5
Molecular weight294.34 g/mol
IUPAC name2-(2-ethyl-5-hydroxyhexoxy)carbonylbenzoic acid
InChIKeyRYPQSGURZSTFSX-UHFFFAOYSA-N
SMILESCCC(CCC(C)O)COC(=O)C1=CC=CC=C1C(=O)O

Computed by PubChem (NCBI)