Basic information
- CAS
63217-25-4- Standard SMILES
CCC(C)(C)c1ccc(OCCCCCl)c(C(C)(C)CC)c1- InChIKey
WQXDZIXHDZKOGO-UHFFFAOYSA-N- Molecular formula
- C20H33ClO
- Average molar mass
- 324.9 g/mol
- Monoisotopic mass
- 324.2219934
Names & identifiers
- Preferred name
- 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene
- IUPAC
- 1-(4-chlorobutoxy)-2,4-bis(2-methylbutan-2-yl)benzene
- English name
- 1-(4-chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene
- Molecular formula
- C20H33ClO
- Molecular weight
- 324.93
Names & synonyms
1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzeneEINECS 264-021-9Benzene, 1-(4-chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)-DTXSID2069787Butane, 1-chloro-4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-RefChem:74443DTXCID8043783264-021-963217-25-41-(4-chlorobutoxy)-2,4-bis(2-methylbutan-2-yl)benzeneHD4T66AN22SCHEMBL9769466
Show more names
WQXDZIXHDZKOGO-UHFFFAOYSA-NDB-300617NS00035381
Database identifiers
- CAS
63217-25-4- PubChem CID
- 113147
- DTXSID
DTXSID2069787- UNII
- HD4T66AN22
- EC Number
- 264-021-9
- Nikkaji
- J327.033E
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 311
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-(4-Chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)benzene (63217-25-4)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-(4-chlorobutoxy)-2,4-bis(1,1-dimethylpropyl)-: INACTIVE
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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