3,4,5-Trimethoxybenzyl alcohol

C10H14O4CAS 3840-31-1198.22 g/mol

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Properties

Molecular formula
C10H14O4
Molar mass
198.22 g/mol
Exact mass
198.0892 Da
Density
1.14 g/mL
Melting point
36–38 °C
Boiling point
145–150 °C (at 0.4 Torr)
logP
1.20Crippen estimate
Polar surface area
47.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
3840-31-1
SMILES
COc1cc(CO)cc(OC)c1OC
InChIKey
QPHLRCUCFDXGLY-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3

Weigh it out

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

Names and synonyms

5 names
  • Benzenemethanol, 3,4,5-trimethoxy-
  • Benzyl alcohol, 3,4,5-trimethoxy-
  • 3,4,5-Trimethoxybenzenemethanol
  • NSC 53949
  • 3,4,5-Trimethoxyphenylmethanol

Work with 3,4,5-Trimethoxybenzyl alcohol

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

Syringyl alcohol530-56-368 % similar 4-Bromo-3,5-dimethoxybenzyl alcohol61367-62-266 % similar Veratrole alcohol93-03-862 % similar 3,4,5-Trimethoxybenzylamine18638-99-859 % similar 3,4,5-Trimethoxybenzyl chloride3840-30-059 % similar 3,5-Dimethoxybenzenemethanol705-76-057 % similar Vanillyl alcohol498-00-056 % similar (4-Fluoro-3-methoxyphenyl)methanol128495-45-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Bis(2-hydroxyethoxy)benzene102-40-9 Hydroquinone bis(2-hydroxyethyl) ether104-38-1 1,4-Butylene glycol diacrylate1070-70-8 4-Butyroxy-2,5-dimethyl-3(2H)-furanone114099-96-6 (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid13429-83-9 Polyethylene glycol dimethacrylate25852-47-5 2,3,4-Trimethoxy-6-methylphenol39068-88-7 Divinyl adipate4074-90-2

Elsewhere

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