chempirical

Butylparaben

C11H14O3CAS 94-26-8194.23 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
Melting point
68–69 °C
Boiling point
309 °C
logP
2.35Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
94-26-8
SMILES
CCCCOC(=O)c1ccc(O)cc1
InChIKey
QFOHBWFCKVYLES-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3

Weigh it out

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

Names and synonyms

27 names · show all
  • Tegosept B
  • Solbrol B
  • Benzoic acid, 4-hydroxy-, butyl ester
  • Benzoic acid, p-hydroxy-, butyl ester
  • Aseptoform butyl
  • Butoben
  • Butyl chemosept
  • Butyl p-hydroxybenzoate
  • Butyl tegosept
  • p-Hydroxybenzoic acid butyl ester
  • Nipabutyl
  • Preserval B
  • n-Butyl p-hydroxybenzoate
  • Butyl 4-hydroxybenzoate
  • SPF
  • 4-Hydroxybenzoic acid butyl ester
  • Butyl parasept
  • Tegosept butyl
  • Butyl butex
  • 4-(Butoxycarbonyl)phenol
  • n-Butylparaben
  • n-Butyl 4-hydroxybenzoate
  • Mekkings B
  • Butyl parabens
  • NSC 13164
  • NSC 8475
  • Mekkins B

Work with 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pentyl P-hydroxybenzoate6521-29-591 % similar Hexyl 4-hydroxybenzoate1083-27-888 % similar Heptylparaben1085-12-788 % similar Octyl P-hydroxybenzoate1219-38-188 % similar Dodecyl 4-hydroxybenzoate2664-60-088 % similar Propylparaben94-13-382 % similar Butyl benzoate136-60-769 % similar Butyl 4-aminobenzoate94-25-768 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Zingerone122-48-5 Ethyl p-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4 Ethyl 4-ethoxybenzoate23676-09-7 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-3

Elsewhere

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