4-Butylresorcinol

C10H14O2CAS 18979-61-8166.22 g/mol

Open in Covalent MOL file
OHHO
Phenol

Properties

Molecular formula
C10H14O2
Molar mass
166.22 g/mol
Exact mass
166.0994 Da
Melting point
47–48 °C
Boiling point
155–175 °C (at 7 Torr)
logP
2.44Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 93 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number
18979-61-8
SMILES
CCCCc1ccc(O)cc1O
InChIKey
CSHZYWUPJWVTMQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • 1,3-Benzenediol, 4-butyl-
  • Resorcinol, 4-butyl-
  • 4-Butyl-1,3-benzenediol
  • Butylresorcinol
  • NKO 12
  • Rucinol
  • Iklen

Work with 4-Butylresorcinol

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

Similar compounds

Hexylresorcinol136-77-687 % similar 4-Dodecylresorcinol24305-56-487 % similar 4-Propylresorcinol18979-60-779 % similar 4-Ethylresorcinol2896-60-863 % similar Amylmetacresol1300-94-360 % similar Nonylphenol25154-52-356 % similar 2-Heptylphenol5284-22-056 % similar 4-Butylphenol1638-22-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylacetaldehyde dimethyl acetal101-48-4 Camphoroquinone10334-26-6 Bornane-2,3-dione10373-78-1 4-Butoxyphenol122-94-1 1,4-Diethoxybenzene122-95-2 2-Hexanoylfuran14360-50-0 Hexahydro-2,5-methanopentalene-3a(1H)-carboxylic acid16200-53-6 3-Butoxyphenol18979-72-1

Elsewhere

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