Phenol, 2,6-dioctyl-
Basic information
- CAS
3307-31-1- Standard SMILES
CCCCCCCCc1cccc(CCCCCCCC)c1O- InChIKey
MYOXWOWYELCAJM-UHFFFAOYSA-N- Molecular formula
- C22H38O
- Average molar mass
- 318.5 g/mol
- Monoisotopic mass
- 318.29226583
Names & identifiers
- Preferred name
- Phenol, 2,6-dioctyl-
- IUPAC
- 2,6-dioctylphenol
- English name
- 2,6-Dioctylphenol
- Molecular formula
- C22H38O
- Molecular weight
- 318.54
Names & synonyms
2,6-DioctylphenolPhenol, 2,6-dioctyl-3307-31-1DTXSID6062967RefChem:172738DTXCID9038630608-827-4SCHEMBL4959229SCHEMBL11653501MYOXWOWYELCAJM-UHFFFAOYSA-NNS00029414
Database identifiers
- CAS
3307-31-1- PubChem CID
- 76812
- DTXSID
DTXSID6062967- EC Number
- 608-827-4
- Nikkaji
- J141.434H
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
- 226
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- 2 · Phenol, 2,6-dioctyl- (3307-31-1)
- 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, 2,6-dioctyl-: INACTIVE
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Related reactions
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Compound notes
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