Basic information
- CAS
2768-15-2- Standard SMILES
CCCCC(CO)CCCC- InChIKey
LAPPDPWPIZBBJY-UHFFFAOYSA-N- Molecular formula
- C10H22O
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.16706532
Names & identifiers
- Preferred name
- 2-Butylhexanol
- IUPAC
- 2-butylhexan-1-ol
- English name
- 2-butylhexanol
- Molecular formula
- C10H22O
- Molecular weight
- 158.28
Names & synonyms
2-butylhexan-1-ol2-Butylhexanol2768-15-22-?Butylhexanol2-Butyl-1-hexanolEINECS 220-451-9starbld0002201SCHEMBL317382SCHEMBL2349162SCHEMBL8014202DTXSID90182041AKOS006291937
Show more names
1-Hexanol, 2-butyl-
NS00028346H56646
Database identifiers
- CAS
2768-15-2- PubChem CID
- 76005
- DTXSID
DTXSID90182041- EC Number
- 220-451-9
- Nikkaji
- J299.223J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 63.3
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
- Henry's Law Constant
- 4.4 · 4.4×10-1 mol/(m3Pa) at 25℃, Yaws et al. (1997)
Chemistry & industry
Applications
Uses2-Butylhexanol is a reagent used in the analysis of polyphilic self assembly. Also a reactant in the study of porphyrin macrocycle slippage over polymer threads.
Suppliers13 total
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Related reactions
2 records
Compound notes
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