5-butylbenzene-1,3-diol

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5-butylbenzene-1,3-diol Basic information

Product Name: 5-butylbenzene-1,3-diol

Synonyms: 5-butylbenzene-1,3-diol;CPDD1006;5-Butyl-1,3-benzenediol;1,3-Benzenediol, 5-butyl-

CAS: 46113-76-2

MF: C10H14O2

MW: 166.22

EINECS:

Product Categories:

Mol File: 46113-76-2.mol

5-butylbenzene-1,3-diol Structure

5-butylbenzene-1,3-diol Chemical Properties

Melting point 81.5-82.5 °C

Boiling point 151-152 °C

density 1.092±0.06 g/cm3(Predicted)

solubility Chloroform (Slightly), Methanol (Slightly)

pka 9.56±0.10(Predicted)

form Solid

color Off-White to Light Beige

InChI InChI=1S/C10H14O2/c1-2-3-4-8-5-9(11)7-10(12)6-8/h5-7,11-12H,2-4H2,1H3

InChIKey JOZMGUQZTOWLAS-UHFFFAOYSA-N

SMILES C1(O)=CC(CCCC)=CC(O)=C1

Safety Information

MSDS Information

5-butylbenzene-1,3-diol Usage And Synthesis

Uses 5-Butylresorcinol and other alkyl resorcinol have been studied for their bactericidal properties. It has been also used in the study of hydrophobicity of 1-methyl-3,5-dioxybenzene, 1-butyl-3,5-dioxybenzene, and 1-hexyl-3,5-dioxybenzene studied by DFT-ROB3LYP and PM3 methods calcg. their complexes with H2O mol. and octanol