Basic information
- CAS
598-07-2- Standard SMILES
C=CC(C)(O)CCCC(=C)C- InChIKey
GYJHTGZQPKPEOT-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- alpha-Linalool
- IUPAC
- 3,7-dimethylocta-1,7-dien-3-ol
- English name
- 3,7-dimethyl-1,7-octadien-3-ol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
3,7-Dimethyl-1,7-octadien-3-ol598-07-2alpha-LinaloolRefChem:1076518209-915-13,7-dimethylocta-1,7-dien-3-ol.alpha.-Linalool1,7-Octadien-3-ol, 3,7-dimethyl-EINECS 209-915-1SCHEMBL11133217DTXSID20975206AKOS025295517
Show more names
3,7-Dimethyl-1,7-octadien-3-ol #NS00043315
Database identifiers
- CAS
598-07-2- PubChem CID
- 69016
- DTXSID
DTXSID20975206- EC Number
- 209-915-1
- Nikkaji
- J37.642F
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 149
Physicochemical properties
- Boiling point
- 76 · 76-78 °C(Press: 10 Torr)
- Density
- 0.851 · 0.851±0.06 g/cm3(Predicted)
- pka
- 14.48 · 14.48±0.29(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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