2-Ethylhex-2-enoic acid
Basic information
- CAS
5309-52-4- Standard SMILES
CCC/C=C(\CC)C(=O)O- InChIKey
WOWYPHJOHOCYII-VOTSOKGWSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 2-Ethylhex-2-enoic acid
- IUPAC
- (E)-2-ethylhex-2-enoic acid
- English name
- 2-Ethyl-2-hexenoic acid, 95%, predominan tly trans
- Molecular formula
- C8H14O2
- Molecular weight
- 142.2
Names & synonyms
2-Ethylhex-2-enoic acid(E)-2-ethylhex-2-enoic acid2-Ethyl-3-propylacrylic acid101489-01-4EINECS 226-167-1Kyselina 3-hepten-3-karboxylova [Czech]Kyselina 3-hepten-3-karboxylova2-Ethylhex-2-enoicacidSCHEMBL714325WOWYPHJOHOCYII-VOTSOKGWSA-NAKOS0062944722-Hexenoic acid, 2-ethyl-, (2E)-
Show more names
2-ethylhexenoicacid2-ethyl-2-hexenoicaci2-ethyl-2-hexenoicacidethylpropylacrylic acid2-Hexenoic acid, 2-ethyl-(E)-2-Ethyl-2-hexenoic acid2-Ethyl-2-hexenoic acid,predominantly trans2-Ethyl-2-hexenoic acid, 95%, predominan tly trans
2-Ethyl-2-hexenoic acid, predominantly trans
Database identifiers
- CAS
5309-52-4- PubChem CID
- 6435902
- Nikkaji
- J764.839A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 2 °C · −2 °C(lit.)
- Boiling point
- 123 · 123-126 °C12 mm Hg(lit.)
- Density
- 0.95 g/mL · 0.95 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.46(lit.)
- Flash point
- 230 °F · >230 °F
- pka
- 5 · 5.00±0.19(Predicted)
- LogP
- 2.948 · 2.948 (est)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-27-28-36/37/39-36/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 2 · 2
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
- wgk
- 2
- rtecs
- MP7750000
- ridadr
- UN 3265 8/PG 2
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-36/39-45
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
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Related reactions
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Compound notes
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