Basic information
- CAS
32779-58-1- Standard SMILES
C=C(C)CCCC(C)(C)O- InChIKey
ICHVSYBMEODCOO-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Names & identifiers
- Preferred name
- 6-Hepten-2-ol, 2,6-dimethyl-
- IUPAC
- 2,6-dimethylhept-6-en-2-ol
- English name
- 2,6-DIMETHYL-6-HEPTEN-2-OL
- Molecular formula
- C9H18O
- Molecular weight
- 142.24
Names & synonyms
6-Hepten-2-ol, 2,6-dimethyl-RefChem:5433032,6-Dimethyl-6-hepten-2-ol2,6-dimethylhept-6-en-2-ol32779-58-1starbld0007053SCHEMBL133461942,6-dimethyl-hept-6-en-2-olDTXSID903344022,6-Dimethyl-6-hepten-2-ol #2,6-Dimethyl-6-hepten-2-ol, analytical standard
Database identifiers
- CAS
32779-58-1- PubChem CID
- 520592
- DTXSID
DTXSID90334402
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 70 · 70-72 °C(Press: 11 Torr)
- Density
- 0.844 g/mL · 0.844 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.444
- pka
- 15.29 · 15.29±0.29(Predicted)
- BRN
- 1742422 · 1742422
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 10 · 10-23
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: 6-Hepten-2-ol, 2,6-dimethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- F
- 10-23
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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