1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene
Basic information
- CAS
70544-46-6- Standard SMILES
CCCCCCCCOc1cc(C(C)(C)CC)c(OCCCCCCCC)cc1C(C)(C)CC- InChIKey
KXSIYNASVRUUQO-UHFFFAOYSA-N- Molecular formula
- C32H58O2
- Average molar mass
- 474.8 g/mol
- Monoisotopic mass
- 474.44368109
Names & identifiers
- Preferred name
- 1,4-Bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)benzene
- IUPAC
- 1,4-bis(2-methylbutan-2-yl)-2,5-dioctoxybenzene
- English name
- 1,4-BIS(N-OCTYLOXY)-2,5-DI-T-PENTYLBENZENE
- Molecular formula
- C32H58O2
- Molecular weight
- 474.8
Names & synonyms
1,4-Bis(1,1-Dimethylpropyl)-2,5-bis(octyloxy)benzeneDTXSID9072070Benzene, 1,4-bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)-RefChem:220150DTXCID004669870544-46-61,4-bis(n-octyloxy)-2,5-di-tert-pentylbenzene1,4-bis(2-methylbutan-2-yl)-2,5-dioctoxybenzene1,4-bis(2-methylbutan-2-yl)-2,5-bis(octyloxy)benzeneSCHEMBL5847066KXSIYNASVRUUQO-UHFFFAOYSA-N1,4-Di(octyloxy)-2,5-di-tert-pentylbenzene
Show more names
1,4-BIS(N-OCTYLOXY)-2,5-DI-T-PENTYLBENZENE1,4-bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)-benzen1,4-bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)-Benzene
Database identifiers
- CAS
70544-46-6- PubChem CID
- 112422
- DTXSID
DTXSID9072070- Nikkaji
- J32.089G
Properties
Computed structural properties
- XLogP
- 13.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 20
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Boiling point
- 551.8 · 551.8±50.0 °C(Predicted)
- Density
- 0.887 · 0.887±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1,4-Bis(1,1-Dimethylpropyl)-2,5-bis(octyloxy)benzene (70544-46-6)
- 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 InformationChemical: Benzene, 1,4-bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,4-bis(1,1-dimethylpropyl)-2,5-bis(octyloxy)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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