2,3,5,6-Tetramethyl-1,4-benzenedimethanol
Basic information
- CAS
7522-62-5- Standard SMILES
Cc1c(C)c(CO)c(C)c(C)c1CO- InChIKey
KDJOOHBQJRVMIX-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067982
Names & identifiers
- Preferred name
- 2,3,5,6-Tetramethyl-1,4-benzenedimethanol
- IUPAC
- [4-(hydroxymethyl)-2,3,5,6-tetramethylphenyl]methanol
- English name
- 2,3,5,6-Tetramethyl-p-xylene-alpha,alpha'-diol
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
7522-62-5Hexamethylbenzene-alpha1,alpha4-diolDTXSID20226189RefChem:1059231DTXCID701486802,3,5,6-Tetramethyl-1,4-benzenedimethanol231-382-93,6-Bis(hydroxymethyl)durene(2,3,5,6-Tetramethyl-1,4-phenylene)dimethanol[4-(hydroxymethyl)-2,3,5,6-tetramethylphenyl]methanol2,3,5,6-Tetramethyl-p-xylene-alpha,alpha'-diolMFCD00004623
Show more names
3,6-Bis (hydroxymethyl) Duene3,6-Bis(hydroxymethyl)durene >3,6-BIS(HYDROXYMETHYL)DURENE 99+%2,3,5,6-tetramethyl-p-xylene-α,α'-diol2 3 5 6-TETRAMETHYL-PARA-XYLENE- &2,3,5,6-Tetramethylbenzene-1,4-bismethanol
1,4-Bis(hydroxymethyl)-2,3,5,6-tetramethylbenzeneBis(hydroxymethyl)durenedurenedimethanoldimethylol dureneEINECS 231-382-9NSC158279SCHEMBL217789AKOS015913349
Database identifiers
- CAS
7522-62-5- PubChem CID
- 82026
- DTXSID
DTXSID20226189- EC Number
- 231-382-9
- Nikkaji
- J150.911J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Melting point
- 246 · 246-248 °C(lit.)
- Boiling point
- 362.9 · 362.9±37.0 °C(Predicted)
- Density
- 1.066 · 1.066±0.06 g/cm3(Predicted)
- solubility
- within almost transparency in hot Pyridine
- form
- powder to crystal
- pka
- 14.26 · 14.26±0.10(Predicted)
- color
- White to Light yellow to Light orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- WGK Germany
- 3 · 3
- HS Code
- 2906290090 · 2906290090
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
- wgk
- 3
- hs_code
- 2906290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3,6-Bis(hydroxymethyl)durene is a useful compound in organic synthesis.
Upstream & downstream products
Downstream products
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Related reactions
2 records
Compound notes
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