2-Hexyl-1-octanol
Basic information
- CAS
19780-79-1- Standard SMILES
CCCCCCC(CO)CCCCCC- InChIKey
QNMCWJOEQBZQHB-UHFFFAOYSA-N- Molecular formula
- C14H30O
- Average molar mass
- 214.39 g/mol
- Monoisotopic mass
- 214.22966558
Overview
2-Hexyl-1-octanol is an aliphatic alcohol.
Names & identifiers
- Preferred name
- 2-Hexyl-1-octanol
- IUPAC
- 2-hexyloctan-1-ol
- English name
- 2-Hexyl-1-octanol
- Molecular formula
- C14H30O
- Molecular weight
- 214.39
Names & synonyms
2-Hexyl-1-octanol19780-79-12-hexyloctan-1-ol1-Octanol, 2-hexyl-2-hexyloctanol2-hexyloctyl alcohol5D8007Z3JIUNII-5D8007Z3JIDTXSID20337921RefChem:87295DTXCID30289008606-381-5
Show more names
QNMCWJOEQBZQHB-UHFFFAOYSA-N2-Hexyl-1-n-octanolMFCD000467692-Hexyl-n-octyl AlcoholSCHEMBL474275SCHEMBL1609524CHEBI:140566MSK183333-100M
Database identifiers
- CAS
19780-79-1- PubChem CID
- 545551
- DTXSID
DTXSID20337921- ChEBI
CHEBI:140566- UNII
- 5D8007Z3JI
- EC Number
- 606-381-5
- Nikkaji
- J728.539F
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 99.9
Physicochemical properties
- Boiling point
- 162 °C/15mmHg · 162°C/15mmHg(lit.)
- Density
- 0.832 · 0.832±0.06 g/cm3(Predicted)
- refractive index
- 1.444 to · 1.4440 to 1.4480
- pka
- 15.13 · 15.13±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- InChI
- InChI=1S/C14H30O/c1-3-5-7-9-11-14(13-15)12-10-8-6-4-2/h14-15H,3-13H2,1-2H3
- InChIKey
- QNMCWJOEQBZQHB-UHFFFAOYSA-N
- SMILES
- C(O)C(CCCCCC)CCCCCC
- FDA UNII
- 5 D8007Z3JI · 5D8007Z3JI
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- HS Code
- 2905.19 · 2905.19.9020
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 Information1-Octanol, 2-hexyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- hs_code
- 2905.19.9020
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 2-Hexyl-1-octanol is an aliphatic alcohol.
Related reactions
2 records
Compound notes
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