4-(1,1-Dimethylheptyl)phenol Diethoxylate
Basic information
- CAS
156609-10-8- Standard SMILES
CCCCCCC(C)(C)c1ccc(OCCOCCO)cc1- InChIKey
QBJGHRMRNHNIKU-UHFFFAOYSA-N- Molecular formula
- C19H32O3
- Average molar mass
- 308.5 g/mol
- Monoisotopic mass
- 308.23514488
Names & identifiers
- Preferred name
- 4-(1,1-Dimethylheptyl)phenol Diethoxylate
- IUPAC
- 2-[2-[4-(2-methyloctan-2-yl)phenoxy]ethoxy]ethanol
- English name
- NONYLPHENOL-ETHYLENEOXIDECONDENSATES
- Molecular weight
- 0
Names & synonyms
1643880-05-04-(1,1-Dimethylheptyl)phenol Diethoxylate2-[2-[4-(2-Methyloctan-2-yl)phenoxy]ethoxy]ethanol4-(1,1-Dimethylheptyl)phenolDiethoxylate4-tert-Nonylphenol-diethoxylate2-(2-(4-(2-Methyloctan-2-yl)phenoxy)ethoxy)ethan-1-olQBJGHRMRNHNIKU-UHFFFAOYSA-NDTXSID301029274156609-10-8NS001344264-t-Nonylphenol-diethoxylate4-TERT-NONYLPHENOLDIETHOXYLATE
Show more names
4-tert-Nonylphenol diethoxylate@100 μg/mL in Methanol
Database identifiers
- CAS
156609-10-8- PubChem CID
- 102437282
- DTXSID
DTXSID301029274- Nikkaji
- J303.811D
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 257
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Substances of Very High Concern (SVHC) Candidate List
- 4 · 4-t-Nonylphenol-diethoxylate (156609-10-8)
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 InformationHazard Traits - Endocrine toxicity
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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