Ethyl hex-2-ynoate
Basic information
- CAS
16205-90-6- Standard SMILES
CCCC#CC(=O)OCC- InChIKey
ZFMNCZDBAHELNX-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Names & identifiers
- Preferred name
- Ethyl hex-2-ynoate
- IUPAC
- ethyl hex-2-ynoate
- English name
- Ethyl 2-hexynoate
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
Ethyl hex-2-ynoate16205-90-62-Hexynoic acid, ethyl esterEINECS 240-335-1AI3-35773DTXSID80167302NSC 190966RefChem:138943DTXCID8089793240-335-1ethyl 2-hexynoateETHYL-2-HEXYNOATE
Show more names
2-Ethyl hexonateTIMTEC-BB SBB008805Ethyl 2-hexynoate, 98+%2-Hexynoic acid ethyl esterETHYL 2-HEXYNOATE, 98%ETHYL 2-HEXYNOATE, 98%ETHYL 2-HEXYNOATE, 98%ETHYL 2-HEXYNOATE, 98%
MFCD00015257hex-2-ynoic acid ethyl esterSCHEMBL824893NSC190966SBB008805AKOS022186473NSC-190966AS-77046
Database identifiers
- CAS
16205-90-6- PubChem CID
- 85329
- DTXSID
DTXSID80167302- EC Number
- 240-335-1
- Nikkaji
- J286.843A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
Physical DescriptionClear colorless to yellow liquid; [Acros Organics MSDS]
Physicochemical properties
- Boiling point
- 93 °C · 93°C 24mm
- Density
- 0.951 · 0.951±0.06 g/cm3(Predicted)
- refractive index
- 1.444 · 1.4440
- Flash point
- 87 · 87-88°C/14mm
- Water Solubility
- Insoluble in water.
- BRN
- 1702264 · 1702264
- Safety Statements
- 24 · 24/25
- RIDADR
- 3272 · 3272
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29161995 · 29161995
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryAn irritant; [Acros Organics MSDS]
Safety data
- ridadr
- 3272
- hs_code
- 29161995
- safety_code
- 24/25
- hazard_class
- 3
- packing_group
- III
Chemistry & industry
Upstream & downstream products
Downstream products
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