9-Octylheptadecan-9-ol
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Basic information
- CAS
17687-72-8- Standard SMILES
CCCCCCCCC(O)(CCCCCCCC)CCCCCCCC- InChIKey
GIJUBRUJCGBQEM-UHFFFAOYSA-N- Molecular formula
- C25H52O
- Average molar mass
- 368.7 g/mol
- Monoisotopic mass
- 368.40181628
Names & identifiers
- Preferred name
- 9-Octylheptadecan-9-ol
- IUPAC
- 9-octylheptadecan-9-ol
- English name
- 9-Octyl-9-heptadecanol
- Molecular formula
- C25H52O
- Molecular weight
- 368.68
Names & synonyms
9-octylheptadecan-9-ol17687-72-89-OCTYL-9-HEPTADECANOL9-Octylheptadecane-9-olEINECS 241-673-2(trioctylmethanol)tri-n-octylcarbinolSCHEMBL894531SCHEMBL2348414DTXSID50170202DB-044276NS00025817
Show more names
[CH3(CH2)7]3COHTRI-N-OCTYLMETHANOL9-Heptadecanol, 9-octyl-9-Octyl-9-heptadecanoltech9-Octyl-9-heptadecanolTri-n-octylmethanol
Database identifiers
- CAS
17687-72-8- PubChem CID
- 87239
- DTXSID
DTXSID50170202- EC Number
- 241-673-2
- Nikkaji
- J287.119J
Properties
Computed structural propertiesFilling in
- XLogP
- 11.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 21
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 411 · 411.0±13.0 °C(Predicted)
- Density
- 0.84 · 0.840±0.06 g/cm3(Predicted)
- refractive index
- 1.454 · 1.454-1.456
- pka
- 15.33 · 15.33±0.29(Predicted)
- Safety Statements
- 24 · 24/25
- HS Code
- 29051900 · 29051900
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
- hs_code
- 29051900
- safety_code
- 24/25
Related reactions
4 records
Compound notes
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