1,1-Diethoxyhex-2-yne
Basic information
- CAS
18229-78-2- Standard SMILES
CCCC#CC(OCC)OCC- InChIKey
VUNHOKCOJYJVBT-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- 1,1-Diethoxyhex-2-yne
- IUPAC
- 1,1-diethoxyhex-2-yne
- English name
- 2-Hexynal diethyl acetal
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
1,1-Diethoxyhex-2-yne18229-78-22-HEXYNAL DIETHYL ACETAL2-Hexyne, 1,1-diethoxy-2-HEXYNALDIETHYLACETALMFCD000416431,1-Diethoxy-2-hexyneEINECS 242-110-32-Hexyn-1-al diethyl acetalDTXSID301712772-Hexynyl aldehyde diethyl acetalAKOS015863192
Show more names
1-ethoxyhex-2-ynoxyethane
AS-58038CS-0448845NS00025999
Database identifiers
- CAS
18229-78-2- PubChem CID
- 87518
- DTXSID
DTXSID30171277- EC Number
- 242-110-3
- Nikkaji
- J266.068G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 79 · 79-80°C 8mm
- Density
- 0 · 0,885 g/cm3
- refractive index
- 1.431 · 1.4310
- Flash point
- 79 · 79-80°C/8mm
- BRN
- 1703624 · 1703624
- Safety Statements
- 24 · 24/25
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
- safety_code
- 24/25
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Related reactions
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Compound notes
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