Basic information
- CAS
63451-51-4- Standard SMILES
CCCCCCCCCCCCCCC(C)c1cc(O)c(C(C)CCCCCCCCCCCCCC)cc1O- InChIKey
BLWQZSLAARXNGD-UHFFFAOYSA-N- Molecular formula
- C38H70O2
- Average molar mass
- 559 g/mol
- Monoisotopic mass
- 558.53758147
Names & identifiers
- Preferred name
- 1,4-Benzenediol, bis(1-methylpentadecyl)-
- IUPAC
- 2,5-di(hexadecan-2-yl)benzene-1,4-diol
- English name
- bis(1-methylpentadecyl)hydroquinone
- Molecular formula
- C38H70O2
- Molecular weight
- 558.9612
Names & synonyms
1,4-Benzenediol, bis(1-methylpentadecyl)-EINECS 264-203-8RefChem:41629063451-51-42,5-di(hexadecan-2-yl)benzene-1,4-diolDTXSID80979684BLWQZSLAARXNGD-UHFFFAOYSA-Nbis(1-methylpentadecyl)hydroquinone
Database identifiers
- CAS
63451-51-4- PubChem CID
- 112668
- DTXSID
DTXSID80979684- EC Number
- 264-203-8
Properties
Computed structural properties
- XLogP
- 17.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 28
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 474
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,4-Benzenediol, bis(1-methylpentadecyl)- (63451-51-4)
- 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.
Hazard information
Regulatory InformationChemical: 1,4-Benzenediol, bis(1-methylpentadecyl)-
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 Information1,4-Benzenediol, bis(1-methylpentadecyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…