Mono(2-ethyl-5-hydroxyhexyl) Phthalate (Mixture of Diastereomers), >95% (HPLC)

cas: 40321-99-1 — see every product listed under this CAS number, including other names

Mono(2-ethyl-5-hydroxyhexyl) Phthalate (Mixture of Diastereomers), >95% (HPLC) (CAS 40321-99-1) is a chemical reagent available from Chemat. Available pack sizes: 2,5mg, 25mg. Offered by: TRC.

• 2D
• 3D

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 formula	C16H22O5
Molecular weight	294.34 g/mol
IUPAC name	2-(2-ethyl-5-hydroxyhexoxy)carbonylbenzoic acid
InChIKey	RYPQSGURZSTFSX-UHFFFAOYSA-N
SMILES	CCC(CCC(C)O)COC(=O)C1=CC=CC=C1C(=O)O

Computed by PubChem (NCBI)

Synonyms: Mono(2-ethyl-5-hydroxyhexyl) phthalate, Mono-2-ethyl-5-hydroxyhexyl Phthalate, Mono(2-ethyl-5-hydroxyhexyl) 1,2-benzenedicarboxylate, 1,2-Benzenedicarboxylic acid, mono(2-ethyl-5-hydroxyhexyl) ester, MEHHP cpd, mono(2-ethyl-5-hydroxyhexyl)phthalate, MEHHP, 2-(2-ethyl-5-hydroxyhexoxy)carbonylbenzoic acid, 2-{[(2-ethyl-5-hydroxyhexyl)oxy]carbonyl}benzoic acid, Mono-(2-ethyl-5-hydroxyhexyl) phthalate

Related forms of this compound

2,3,4,5-tetradeuterio-6-(2-ethyl-5-hydroxyhexoxy)carbonylbenzoic acid C₁₆H₂₂O₅

6-(2-ethyl-5-hydroxyhexoxy)carbonyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid C₁₆H₂₂O₅

Isomers (same molecular formula)

diethyl 2-(2-phenylmethoxyethyl)propanedioate C₁₆H₂₂O₅

4-(3,4-dipropoxyphenyl)-4-oxobutanoic acid C₁₆H₂₂O₅

tert-butyl 3-[2-(4-formylphenoxy)ethoxy]propanoate C₁₆H₂₂O₅

(3aS,4S,6R,7R,7aS)-2,2,6-trimethyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol C₁₆H₂₂O₅

(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-6-(phenylmethoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole C₁₆H₂₂O₅

(1-ethylcyclopentyl) 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate C₁₆H₂₂O₅

methyl 3-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxybenzoate C₁₆H₂₂O₅

2-(8-hydroxyoctoxycarbonyl)benzoic acid C₁₆H₂₂O₅

4-(2-ethyl-5-hydroxyhexoxy)carbonylbenzoic acid C₁₆H₂₂O₅

2-[2-(1-hydroxyethyl)hexoxycarbonyl]benzoic acid C₁₆H₂₂O₅