Basic information
- CAS
125904-18-9- Standard SMILES
CCCCOc1cc(C(C)(C)C)c(OCCCC)cc1C(C)(C)C- InChIKey
OYMURBYTRMDBKX-UHFFFAOYSA-N- Molecular formula
- C22H38O2
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.28718045
Names & identifiers
- Preferred name
- Benzene, 1,4-dibutoxy-2,5-bis(1,1-dimethylethyl)-
- IUPAC
- 1,4-dibutoxy-2,5-ditert-butylbenzene
- English name
- 1,4-Dibutoxy-2,5-di-tert-butylbenzene
- Molecular formula
- C22H38O2
- Molecular weight
- 334.54
Names & synonyms
125904-18-9Benzene, 1,4-dibutoxy-2,5-bis(1,1-dimethylethyl)-DTXSID6073100RefChem:562321DTXCID10338741,4-dibutoxy-2,5-ditert-butylbenzene1,4-dibutoxy-2,5-di-tert-butylbenzeneSCHEMBL6232233OYMURBYTRMDBKX-UHFFFAOYSA-N
Database identifiers
- CAS
125904-18-9- PubChem CID
- 86378
- DTXSID
DTXSID6073100- Nikkaji
- J268.459D
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 425.4 · 425.4±45.0 °C(Predicted)
- Density
- 0.904 · 0.904±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · Benzene, 1,4-dibutoxy-2,5-bis(1,1-dimethylethyl)- (125904-18-9)
- 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.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,4-dibutoxy-2,5-bis(1,1-dimethylethyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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