7-Octyn-1-ol, 1-acetate
Basic information
- CAS
13860-68-9- Standard SMILES
C#CCCCCCCOC(C)=O- InChIKey
PCEZZOCIWUWDLG-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 7-Octyn-1-ol, 1-acetate
- IUPAC
- oct-7-ynyl acetate
- English name
- oct-7-ynyl acetate
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
7-Octyn-1-ol, 1-acetate7-Octyn-1-ol, acetate13860-68-9DTXSID00884721RefChem:106496DTXCID801024150oct-7-ynyl acetateoct-7-yn-1-yl acetateSCHEMBL11619168PCEZZOCIWUWDLG-UHFFFAOYSA-N7-Octyn-1-ol acetate
Database identifiers
- CAS
13860-68-9- PubChem CID
- 83777
- DTXSID
DTXSID00884721- Nikkaji
- J421.899J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 225.6 · 225.6±23.0 °C(Predicted)
- Density
- 0.93 · 0.930±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 7 · 7-Octyn-1-ol, acetate (13860-68-9)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information7-Octyn-1-ol, 1-acetate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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