2,3,4,6-Tetramethylphenol
Basic information
- CAS
3238-38-8- Standard SMILES
Cc1cc(C)c(O)c(C)c1C- InChIKey
WEJVHFVGNQBRGH-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 2,3,4,6-Tetramethylphenol
- IUPAC
- 2,3,4,6-tetramethylphenol
- English name
- 2,3,4,6-tetramethylphenol
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
2,3,4,6-TetramethylphenolisodurenolPhenol, 2,3,4,6-tetramethyl-IsodurolUNII-O8267G3UF3O8267G3UF3EINECS 221-799-4DTXSID5062926RefChem:81287DTXCID2038499InChI=1/C10H14O/c1-6-5-7(2)10(11)9(4)8(6)3/h5,11H,1-4HWEJVHFVGNQBRGH-UHFFFAOYSA-N
Show more names
3238-38-8SCHEMBL394529SCHEMBL394530SCHEMBL5610281CHEMBL4287899SCHEMBL29729030AKOS006272177NS00029269
Database identifiers
- CAS
3238-38-8- PubChem CID
- 76719
- DTXSID
DTXSID5062926- ChEMBL
CHEMBL4287899- UNII
- O8267G3UF3
- EC Number
- 221-799-4
- Nikkaji
- J38.246I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 80.5 °C · 80.5 °C
- Boiling point
- 240 °C · 240 °C
- Density
- 0.982 · 0.982±0.06 g/cm3(Predicted)
- pka
- 11.09 · 11.09±0.28(Predicted)
- Water Solubility
- 2 g/L · 2g/L(15 ºC)
- FDA UNII
- 8267 G3UF3 · O8267G3UF3
- EPA Substance Registry System
- 2 · Phenol, 2,3,4,6-tetramethyl- (3238-38-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2,3,4,6-tetramethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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