3,7-Dimethyl-2-octanol
Basic information
- CAS
15340-96-2- Standard SMILES
CC(C)CCCC(C)C(C)O- InChIKey
XCWMPEYBKUYTLZ-UHFFFAOYSA-N- Molecular formula
- C10H22O
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.16706532
Names & identifiers
- Preferred name
- 3,7-Dimethyl-2-octanol
- IUPAC
- 3,7-dimethyloctan-2-ol
- English name
- 3,7-dimethyloctan-2-ol
- Molecular formula
- C10H22O
- Molecular weight
- 158.28108
Names & synonyms
3,7-dimethyl-2-octanol15340-96-2EINECS 239-375-2UNII-G9NJM87CCK2-Octanol, 3,7-dimethyl-G9NJM87CCKDIHYDROELGENOLRefChem:918852,6-DIMETHYL-7-OCTANOL239-375-2XCWMPEYBKUYTLZ-UHFFFAOYSA-N3,7-Dimethyloctan-2-ol
Show more names
SCHEMBL1658859SCHEMBL28474503DTXSID50934745AKOS021483963NS00051942
Database identifiers
- CAS
15340-96-2- PubChem CID
- 85830
- DTXSID
DTXSID50934745- EC Number
- 239-375-2
- Nikkaji
- J218.403F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 88.9
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -1.53 °C · -1.53°C (estimate)
- Boiling point
- 213.4 °C · 213.4°C (estimate)
- Density
- 0.825 · 0.8250
- refractive index
- 1.434 · 1.4340
- pka
- 15.11 · 15.11±0.20(Predicted)
- Henry's Law Constant
- 3 · 3.0×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- FDA UNII
- 9 NJM87CCK · G9NJM87CCK
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 InformationChemical: 2-Octanol, 3,7-dimethyl-
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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