2,4-Dioctylphenol
Basic information
- CAS
1807-29-0- Standard SMILES
CCCCCCCCc1ccc(O)c(CCCCCCCC)c1- InChIKey
RLMZELPHRPTNJX-UHFFFAOYSA-N- Molecular formula
- C22H38O
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.29226583
Names & identifiers
- Preferred name
- 2,4-Dioctylphenol
- IUPAC
- 2,4-dioctylphenol
- English name
- 2,4-dioctylphenol
- Molecular formula
- C22H38O
- Molecular weight
- 318.53652
Names & synonyms
2,4-DioctylphenolPhenol, 2,4-dioctyl-EINECS 217-308-8UNII-ZFO60HR2ZHZFO60HR2ZH2,4-DIOCTYL PHENOL2,4-DI-N-OCTYLPHENOLDTXSID2061985RefChem:82604DTXCID6035736217-308-81807-29-0
Show more names
SCHEMBL6212332RLMZELPHRPTNJX-UHFFFAOYSA-NNS00025947Q27295436
Database identifiers
- CAS
1807-29-0- PubChem CID
- 74548
- DTXSID
DTXSID2061985- UNII
- ZFO60HR2ZH
- EC Number
- 217-308-8
- Nikkaji
- J141.432A
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 60 HR2ZH · ZFO60HR2ZH
- EPA Substance Registry System
- 2 · Phenol, 2,4-dioctyl- (1807-29-0)
- 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 InformationPhenol, 2,4-dioctyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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