Products 1216904-65-2

CAS 1216904-65-2 appears in our catalog under these names: Butyl-d9 Paraben, >95% (HPLC), Butylparaben-d9. Offered by: TRC, MedChemExpress. Available pack sizes: 50mg, 5mg, 5 mg.

Butyl-d9 Paraben, >95% (HPLC)
TRC
  • size: 50mg, 5mg
  • Variants: 2
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Butylparaben-d9
MedChemExpress
  • size: 5 mg
  • Variants: 1
from 2781.01
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Structural formula: {0} (CAS {1})

1,1,2,2,3,3,4,4,4-nonadeuteriobutyl 4-hydroxybenzoate (CAS 1216904-65-2) is a chemical compound with the molecular formula C11H14O3 and a molecular weight of 203.28 g/mol. IUPAC name: 1,1,2,2,3,3,4,4,4-nonadeuteriobutyl 4-hydroxybenzoate. InChIKey: QFOHBWFCKVYLES-WRMMWXQOSA-N.

Identity
Molecular formulaC11H14O3
Molecular weight203.28 g/mol
IUPAC name1,1,2,2,3,3,4,4,4-nonadeuteriobutyl 4-hydroxybenzoate
InChIKeyQFOHBWFCKVYLES-WRMMWXQOSA-N
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OC(=O)C1=CC=C(C=C1)O

Computed by PubChem (NCBI)

Synonyms: Butyl-d9 Paraben, Butylparaben-d9, 1,1,2,2,3,3,4,4,4-nonadeuteriobutyl 4-hydroxybenzoate, (1,1,2,2,3,3,4,4,4-?H?)butyl 4-hydroxybenzoate, n-Butyl 4-hydroxybenzoate-d9
Related forms of this compound
butyl 4-hydroxybenzoate C11H14O3
butyl 2,3,5,6-tetradeuterio-4-hydroxybenzoate C11H14O3
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate C11H14O3
Isomers (same molecular formula)
2-ethoxy-3,5-dimethylbenzoic acid C11H14O3
5-(4-hydroxyphenyl)pentanoic acid C11H14O3
2,6-dimethoxy-4-prop-2-enylphenol C11H14O3
3-(3,5-dimethylphenoxy)propanoic acid C11H14O3
methyl 4-propoxybenzoate C11H14O3
methyl 2-propoxybenzoate C11H14O3
2-(2-methoxyphenyl)-2-methylpropanoic acid C11H14O3
methyl 2-methyl-2-phenoxypropanoate C11H14O3
benzyl 4-hydroxybutanoate C11H14O3