Basic information
- CAS
22460-59-9- Standard SMILES
C=CC(C)CCC(O)C(=C)C- InChIKey
TYASLDPXCAROPT-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- 1,7-Octadien-3-ol, 2,6-dimethyl-
- IUPAC
- 2,6-dimethylocta-1,7-dien-3-ol
- English name
- 2,6-Dimethyl-1,7-octadien-3-ol
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
1,7-Octadien-3-ol, 2,6-dimethyl-2,6-Dimethyl-1,7-octadien-3-ol22460-59-93,7-Dimethyl-1, 7-octadien-6-olDTXSID90885207RefChem:73716DTXCID001024601607-083-8TYASLDPXCAROPT-UHFFFAOYSA-N2,6-dimethylocta-1,7-dien-3-olSCHEMBL7937143NS00125550
Database identifiers
- CAS
22460-59-9- PubChem CID
- 90789
- DTXSID
DTXSID90885207- EC Number
- 607-083-8
- Nikkaji
- J422.097H
Properties
Computed structural properties
- XLogP
- 3
- 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
- 138
Physicochemical properties
- Boiling point
- 88 °C · 88 °C(Press: 10 Torr)
- Density
- 0.87 g/cm3 · 0.870 g/cm3(Temp: 26 °C)
- pka
- 14.46 · 14.46±0.20(Predicted)
- EPA Substance Registry System
- 1 · 1,7-Octadien-3-ol, 2,6-dimethyl- (22460-59-9)
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationREACH registered substance: 2,6-dimethylocta-1,7-dien-3-ol (EC: 607-083-8)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,7-Octadien-3-ol, 2,6-dimethyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers1 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…