Products 40321-98-0
CAS 40321-98-0 appears in our catalog under these names: rac Mono(2-ethyl-5-oxohexyl) Phthalate, >95% (HPLC), Phthalic acid, mono-2-ethyl-5-oxohexyl ester 100 µg/mL in Methyl-tert-butyl ether, rac Mono(2-ethyl-5-oxohexyl) phthalate, 2-(((2-Ethyl-5-oxohexyl)oxy)carbonyl)benzoic acid 98%, MONO-[(2RS)-2-ETHYL-5-OXOHEXYL] PHTHALAT. Offered by: TRC, Dr. Ehrenstorfer, Biosynth, Ambeed, Sigma-Aldrich. Available pack sizes: 10mg, 1mg, 2,5mg, 1ml, 5mg, 25mg, 50mg, 100mg.
Mono(2-ethyl-5-oxohexyl) phthalate is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of 2-ethyl-5-oxohexan-1-ol. It has a role as a human xenobiotic metabolite and a human urinary metabolite. It is a phthalic acid monoester and a methyl ketone.
Source: ChEBI
| Molecular formula | C16H20O5 |
|---|---|
| Molecular weight | 292.33 g/mol |
| IUPAC name | 2-(2-ethyl-5-oxohexoxy)carbonylbenzoic acid |
| InChIKey | HCWNFKHKKHNSSL-UHFFFAOYSA-N |
| SMILES | CCC(CCC(=O)C)COC(=O)C1=CC=CC=C1C(=O)O |
Computed by PubChem (NCBI)
Synonyms:
Mono(2-ethyl-5-oxohexyl)phthalate, 2-Ethyl-5-oxohexyl Phthalate, Mono(2-ethyl-5-oxohexyl) phthalate, 2-(((2-Ethyl-5-oxohexyl)oxy)carbonyl)benzoic acid, 2-{[(2-ethyl-5-oxohexyl)oxy]carbonyl}benzoic acid, Phthalic Acid Mono(2-ethyl-5-oxohexyl) Ester, 2-(2-ethyl-5-oxohexoxy)carbonylbenzoic acid, Mono(2-ethyl-5-oxohexyl) 1,2-benzenedicarboxylate, 1,2-Benzenedicarboxylic acid, mono(2-ethyl-5-oxohexyl) ester, MEOHP cpd