3,5-Bis(1,1-dimethylethyl)-1-hydroxy-4-oxo-2,5-cyclohexadiene-1-propanoic Acid, >95% (HPLC)

cas: 83237-15-4 — see every product listed under this CAS number, including other names

3,5-Bis(1,1-dimethylethyl)-1-hydroxy-4-oxo-2,5-cyclohexadiene-1-propanoic Acid, >95% (HPLC) (CAS 83237-15-4) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 2,5mg, 25mg. Offered by: TRC.

• 2D
• 3D

3-(3,5-ditert-butyl-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)propanoic acid (CAS 83237-15-4) is a chemical compound with the molecular formula C17H26O4 and a molecular weight of 294.4 g/mol. IUPAC name: 3-(3,5-ditert-butyl-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)propanoic acid. InChIKey: WOTFHQUHCWABLM-UHFFFAOYSA-N.

Identity

Molecular formula	C17H26O4
Molecular weight	294.4 g/mol
IUPAC name	3-(3,5-ditert-butyl-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)propanoic acid
InChIKey	WOTFHQUHCWABLM-UHFFFAOYSA-N
SMILES	CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)(CCC(=O)O)O

Computed by PubChem (NCBI)

Synonyms: 3-(3,5-Di-tert-butyl-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)propanoic acid, Propofol Impurity 29, 3-(3,5-Ditert-butyl-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)propanoic acid, 3,5-Bis(1,1-dimethylethyl)-1-hydroxy-4-oxo-2,5-cyclohexadiene-1-propanoic Acid, Valproic Acid Impurity 96, Propofol Related Compound 2, 3-(3,5-Di-tert-butyl-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)propanoicacid, 4-hydroxy-4-(2-carboxyethyl)-2,6-di-t-butylcyclohexa-2,5-dien-2-one, 2,5-Cyclohexadiene-1-propanoic acid, 3,5-bis(1,1-dimethylethyl)-1-hydroxy-4-oxo-, 3-(3,5-ditert-butyl-1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)propanoic acid

Isomers (same molecular formula)

5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one C₁₇H₂₆O₄

[3-(2-acetyloxypropan-2-yl)-1-adamantyl] acetate C₁₇H₂₆O₄

(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one C₁₇H₂₆O₄

ethyl 2-[4-(3-hydroxypropyl)-2,6-dimethylphenoxy]-2-methylpropanoate C₁₇H₂₆O₄

(4-hydroxy-3-methoxyphenyl)methyl 7-methyloctanoate C₁₇H₂₆O₄

2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione C₁₇H₂₆O₄

[(5S,6R,8S,8aR)-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] acetate C₁₇H₂₆O₄

6-(2-tert-butyl-4-methoxyphenoxy)hexanoic acid C₁₇H₂₆O₄