Basic information
- CAS
63451-53-6- Standard SMILES
CCCCCCCCCCCCCCC(C)c1cc(O)c(C(C)CCCCCCCCCCCC)cc1O- InChIKey
NLVJTITUNTXJIR-UHFFFAOYSA-N- Molecular formula
- C36H66O2
- Average molar mass
- 530.9 g/mol
- Monoisotopic mass
- 530.50628134
Names & identifiers
- Preferred name
- 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)-
- IUPAC
- 2-hexadecan-2-yl-5-tetradecan-2-ylbenzene-1,4-diol
- English name
- (1-methylpentadecyl)(1-methyltridecyl)hydroquinone
- Molecular formula
- C36H66O2
- Molecular weight
- 530.90804
Names & synonyms
EINECS 264-205-91,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)-RefChem:41627963451-53-62-(hexadecan-2-yl)-5-(tetradecan-2-yl)benzene-1,4-diolDTXSID00979686NLVJTITUNTXJIR-UHFFFAOYSA-N(1-methylpentadecyl)(1-methyltridecyl)hydroquinone
Database identifiers
- CAS
63451-53-6- PubChem CID
- 112670
- DTXSID
DTXSID00979686- EC Number
- 264-205-9
Properties
Computed structural properties
- XLogP
- 16.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 26
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 492
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)- (63451-53-6)
- 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: 1,4-Benzenediol, (1-methylpentadecyl)(1-methyltridecyl)-
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, (1-methylpentadecyl)(1-methyltridecyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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