4-Tert-butyl-1,2-dimethoxybenzene
Basic information
- CAS
41280-64-2- Standard SMILES
COc1ccc(C(C)(C)C)cc1OC- InChIKey
FSWSUKGIUZLXKK-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- 4-Tert-butyl-1,2-dimethoxybenzene
- IUPAC
- 4-tert-butyl-1,2-dimethoxybenzene
- English name
- 4-tert-Butyl-1,2-dimethoxybenzene
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27
Names & synonyms
4-tert-butyl-1,2-dimethoxybenzene41280-64-24-(1,1-Dimethylethyl)-1,2-dimethoxybenzene4-(tert-butyl)-1,2-dimethoxybenzene4-tert-ButylveratroleSCHEMBL179467SCHEMBL27679213SCHEMBL294360124-t-butyl-1,2-dimethoxybenzeneFSWSUKGIUZLXKK-UHFFFAOYSA-NDTXSID8013666714-tert-butyl-1,2-dimethoxy-benzene
Show more names
1,2-Dimethoxy-4-tert-butylbenzeneBenzene, 4-(1,1-dimethylethyl)-1,2-dimethoxy-
4-tert-Butylcatechol, dimethyl etherMFCD01105163SBB091784AKOS006272574ST51000068H59976AE-848/07797018
Database identifiers
- CAS
41280-64-2- PubChem CID
- 458164
- DTXSID
DTXSID801366671- Nikkaji
- J149.288H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 36 · 36-37 °C
- Boiling point
- 121 · 121-123 °C(Press: 10 Torr)
- Density
- 0.951 · 0.951±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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