5-Methyl-1-nonanol
Basic information
- CAS
2768-16-3- Standard SMILES
CCCCC(C)CCCCO- InChIKey
DBJSFYCKLLBKGB-UHFFFAOYSA-N- Molecular formula
- C10H22O
- Average molar mass
- 158.28 g/mol
- Monoisotopic mass
- 158.16706532
Names & identifiers
- Preferred name
- 5-Methyl-1-nonanol
- IUPAC
- 5-methylnonan-1-ol
- English name
- 5-Methylnonan-1-ol
- Molecular formula
- C10H22O
- Molecular weight
- 158.28
Names & synonyms
5-methylnonan-1-ol5-METHYL-1-NONANOL2768-16-3SCHEMBL978906SCHEMBL978907DTXSID00950339DBJSFYCKLLBKGB-UHFFFAOYSA-NBS-49140E750711-Nonanol, 5-methyl-
Database identifiers
- CAS
2768-16-3- PubChem CID
- 17703
- DTXSID
DTXSID00950339- Nikkaji
- J1.553.127D
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
- 71.3
Physicochemical properties
- Boiling point
- 125 °C · 125 °C(Press: 25 Torr)
- Density
- 0.831 g/cm3 · 0.831 g/cm3(Temp: 24 °C)
- pka
- 15.19 · 15.19±0.10(Predicted)
- Henry's Law Constant
- 3.5 · 3.5×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- 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
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
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Applications
Uses5-Methyl-1-nonanol is a synthesis intermediate. It is used in the preparation of primary alcohols from branched olefins.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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