2-(Octan-3-yl)phenol
Basic information
- CAS
17404-44-3- Standard SMILES
CCCCCC(CC)c1ccccc1O- InChIKey
WBQRXJLVMAWCMN-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- 2-(Octan-3-yl)phenol
- IUPAC
- 2-octan-3-ylphenol
- English name
- o-(1-ethylhexyl)phenol
- Molecular formula
- C14H22O
- Molecular weight
- 206.32
Names & synonyms
2-(octan-3-yl)phenol17404-44-32-octan-3-ylphenolPhenol, 2-(1-ethylhexyl)-2-(1-Ethylhexyl)phenolo-(1-Ethylhexyl)phenolMFCD24713842EINECS 241-426-9SCHEMBL981301SCHEMBL32668975DTXSID10938461WBQRXJLVMAWCMN-UHFFFAOYSA-N
Show more names
AKOS037645202AS-58363NS00003749D92919F817224
Database identifiers
- CAS
17404-44-3- PubChem CID
- 86563
- DTXSID
DTXSID10938461- EC Number
- 241-426-9
- Nikkaji
- J287.036C
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 296.5 · 296.5±9.0 °C(Predicted)
- Density
- 0.935 · 0.935±0.06 g/cm3(Predicted)
- pka
- 10.31 · 10.31±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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