Guaiacol

C7H8O2CAS 90-05-1124.14 g/mol

Open in Covalent MOL file
OHO
EtherPhenol

Properties

Molecular formula
C7H8O2
Molar mass
124.14 g/mol
Exact mass
124.0524 Da
Density
1.1287 g/mL (at 21 °C)
Melting point
32 °C
Boiling point
204–206 °C
pKa
9.98
Flash point
82.2 °C (open cup)
Water solubility
slightly soluble
logP
1.40Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 604-031-00-6), via PubChem.

Precautionary statements

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

Identifiers

CAS number
90-05-1
SMILES
COc1ccccc1O
InChIKey
LHGVFZTZFXWLCP-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3

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Names and synonyms

16 names · show all
  • Phenol, 2-methoxy-
  • Pyrocatechol monomethyl ether
  • Methylcatechol
  • NSC 3815
  • 2-Methoxyl-4-vinylphenol
  • Phenol, o-methoxy-
  • 2-Methoxyphenol
  • o-Hydroxyanisole
  • o-Methoxyphenol
  • Pyroguaiac acid
  • 2-Hydroxyanisole
  • 1-Hydroxy-2-methoxybenzene
  • O-Methyl catechol
  • Anastil
  • Guaiastil
  • o-Guaiacol

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 90-05-1. Each row opens the sheet with its composition and PDF.

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Work with Guaiacol

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

2,3-Dimethoxyphenol5150-42-565 % similar 3-Methoxycatechol934-00-965 % similar 1,2-Dimethoxybenzene91-16-762 % similar 4-Methoxy-1-naphthol84-85-557 % similar 2-Hydroxy-6-methoxybenzaldehyde700-44-757 % similar Syringol91-10-156 % similar 2,2'-Dimethoxybiphenyl4877-93-454 % similar 2,5-Dimethoxyphenol18113-18-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dimethyl-γ-pyrone1004-36-0 2-Acetyl-5-methylfuran1193-79-9 3-Methoxyphenol150-19-6 4-Methoxyphenol150-76-5 5-Ethyl-2-furaldehyde23074-10-4 (3aR,6aS)-3,3a,6,6a-tetrahydro-2H-cyclopenta(b)furan-2-one43119-28-4 4-Methylcatechol452-86-8 2,5-Cyclohexadiene-1-carboxylic acid4794-04-1

Elsewhere

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