4-Ethylguaiacol

C9H12O2CAS 2785-89-9152.19 g/mol

Open in Covalent MOL file
OHO
EtherPhenol

Properties

Molecular formula
C9H12O2
Molar mass
152.19 g/mol
Exact mass
152.0837 Da
Density
1.056–1.066 g/mL
Melting point
−7 °C
Boiling point
236.5 °C
logP
1.96Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,595 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2785-89-9
SMILES
CCc1ccc(O)c(OC)c1
InChIKey
CHWNEIVBYREQRF-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Phenol, 4-ethyl-2-methoxy-
  • Guaiacol, 4-ethyl-
  • 4-Ethyl-2-methoxyphenol
  • p-Ethylguaiacol
  • 4-Hydroxy-3-methoxyethylbenzene
  • 2-Methoxy-4-ethylphenol
  • Guaiacyl ethane
  • 4-Hydroxy-3-methoxyphenylethane
  • NSC 82313

Work with 4-Ethylguaiacol

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

4-Propylguaiacol2785-87-770 % similar Vanillyl alcohol498-00-069 % similar Vanillyl ethyl ether13184-86-666 % similar Homovanillyl alcohol2380-78-165 % similar 3-Methoxytyramine554-52-963 % similar Dihydroconiferyl alcohol2305-13-761 % similar (4-Hydroxy-3-methoxyphenyl)acetonitrile4468-59-161 % similar 3-Methoxy-4-hydroxybenzylamine hydrochloride7149-10-261 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Hydroxyphenyl)-1-propanol10210-17-0 Ketoisophorone1125-21-9 Benzaldehyde dimethyl acetal1125-88-8 2-(3-Methylphenoxy)ethanol13605-19-1 2-Phenyl-1,3-propanediol1570-95-2 (S)-1-(4-Methoxyphenyl)ethanol1572-97-0 Bicyclo[3.3.1]nonane-2,6-dione16473-11-3 (R)-(-)-2-Methoxy-2-phenylethanol17628-72-7

Elsewhere

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