Basic information
- CAS
16504-87-3- Standard SMILES
CCCCC#CCCCCCCOC(C)=O- InChIKey
MOQHPDPEMFZABV-UHFFFAOYSA-N- Molecular formula
- C14H24O2
- Average molar mass
- 224.34 g/mol
- Monoisotopic mass
- 224.17763
Names & identifiers
- Preferred name
- 7-Dodecyn-1-ol, 1-acetate
- IUPAC
- dodec-7-ynyl acetate
- English name
- 7-Dodecyn-1-ol acetate
- Molecular formula
- C14H24O2
- Molecular weight
- 224.34
Names & synonyms
7-Dodecyn-1-ol, acetate16504-87-37-Dodecyn-1-ol, 1-acetateAI3-33265DTXSID50884913RefChem:106046DTXCID001024332dodec-7-ynyl acetatedodec-7-yn-1-yl acetate7-Dodecyn-1-ol acetate7-dodecynyl acetateMOQHPDPEMFZABV-UHFFFAOYSA-N
Database identifiers
- CAS
16504-87-3- PubChem CID
- 85463
- DTXSID
DTXSID50884913- Nikkaji
- J421.968F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 300.9 · 300.9±25.0 °C(Predicted)
- Density
- 0.91 · 0.910±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 7 · 7-Dodecyn-1-ol, acetate (16504-87-3)
- 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-Dodecyn-1-ol, 1-acetate: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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