Sodium butylparaben

C11H13NaO3CAS 36457-20-2216.21 g/mol

Open in Covalent MOL file
OOO−Na+
EsterPhenol

Properties

Molecular formula
C11H13NaO3
Molar mass
216.21 g/mol
Exact mass
216.0762 Da
logP
1.97Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
36457-20-2
SMILES
CCCCOC(=O)c1ccc([O-])cc1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzoic acid, 4-hydroxy-, butyl ester, sodium salt (1:1)
  • Benzoic acid, 4-hydroxy-, butyl ester, sodium salt
  • Butyl p-hydroxybenzoate sodium salt
  • Butyl 4-hydroxybenzoate sodium salt
  • Nipabutyl sodium
  • p-Hydroxybenzoic acid butyl ester sodium salt

Work with Sodium butylparaben

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Butylparaben94-26-8Free acid

Similar compounds

Propylparaben sodium35285-69-983 % similar Sodium ethyl p-hydroxybenzoate35285-68-868 % similar Butyl benzoate136-60-763 % similar Butyl 4-aminobenzoate94-25-763 % similar Pentyl benzoate2049-96-957 % similar Pentyl p-hydroxybenzoate6521-29-557 % similar Sodium methylparaben5026-62-056 % similar Hexyl benzoate6789-88-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook