Basic information
- CAS
79496-57-4- Standard SMILES
CCCCCCC#CC(OCC)OCC- InChIKey
RTZXECZOXGVVTN-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Names & identifiers
- Preferred name
- 1,1-Diethoxynon-2-yne
- IUPAC
- 1,1-diethoxynon-2-yne
- English name
- 2-Nonyn-1-al diethyl acetal
- Molecular weight
- 0
Names & synonyms
2-Nonyn-1-al diethyl acetal1,1-Diethoxynon-2-yne79496-57-42-Nonynal diethyl acetal1,1-Diethoxy-2-nonyne2-Nonyl-1-ol, diethyl acetalSCHEMBL9626661RTZXECZOXGVVTN-UHFFFAOYSA-NDTXSID301016574F099044
Database identifiers
- CAS
79496-57-4- PubChem CID
- 522720
- DTXSID
DTXSID301016574- Nikkaji
- J307.961I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 128 · 128-129°/11mm
- refractive index
- 1.4378 · 1.4378
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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