2,4,6-Trimethoxyphenol
Basic information
- CAS
20491-92-3- Standard SMILES
COc1cc(OC)c(O)c(OC)c1- InChIKey
HSJYYLNJWGKZMD-UHFFFAOYSA-N- Molecular formula
- C9H12O4
- Average molar mass
- 184.19 g/mol
- Monoisotopic mass
- 184.07355886
Overview
2,4,6-Trimethoxyphenol has been reported in Croton lechleri with data available.
Names & identifiers
- Preferred name
- 2,4,6-Trimethoxyphenol
- IUPAC
- 2,4,6-trimethoxyphenol
- English name
- 2,4,6-Trimethoxyphenol
- Molecular formula
- C9H12O4
- Molecular weight
- 184.19
Names & synonyms
2,4,6-Trimethoxyphenol20491-92-34MJL0GD54WDTXSID70174469RefChem:1059632DTXCID2096960243-851-5Phenol, 2,4,6-trimethoxy-MFCD00017159EINECS 243-851-52,4,6-Trimethoxyphen2-HYDROXY-1,3,5-TRIMETHOXYBENZENE
Show more names
2,4,6-trimethoxybenzenephenol
UNII-4MJL0GD54WCHEMBL225314SCHEMBL1047549SCHEMBL10475502,4,6-Trimethoxyphenol 97%2,4,6-Trimethoxyphenol, AldrichCPRAKOS006283780FT70144
Database identifiers
- CAS
20491-92-3- PubChem CID
- 88563
- DTXSID
DTXSID70174469- ChEMBL
CHEMBL225314- UNII
- 4MJL0GD54W
- EC Number
- 243-851-5
- Nikkaji
- J141.508E
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 60 · 60-64 °C
- Boiling point
- 308.1 · 308.1±37.0 °C(Predicted)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder
- pka
- 10.48 · 10.48±0.23(Predicted)
- color
- Light brown
- CAS DataBase Reference
- 20491 · 20491-92-3(CAS DataBase Reference)
- FDA UNII
- 4 MJL0GD54W · 4MJL0GD54W
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2909500090 · 2909500090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2909500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2,4,6-Trimethoxyphenol is a natural product identified in the methanol extracts from the trunk bark of Ceiba pentandra. Shows antioxidant activity.
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Related reactions
1 records
Compound notes
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