Heptadecanoic acid, 2-ethyl-
Basic information
- CAS
69868-08-2- Standard SMILES
CCCCCCCCCCCCCCCC(CC)C(=O)O- InChIKey
GLPAVTPSAJIFMB-UHFFFAOYSA-N- Molecular formula
- C19H38O2
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.28718045
Names & identifiers
- Preferred name
- Heptadecanoic acid, 2-ethyl-
- IUPAC
- 2-ethylheptadecanoic acid
- English name
- 2-ethylheptadecanoic acid
- Molecular formula
- C19H38O2
- Molecular weight
- 298.5
Names & synonyms
2-Ethylheptadecanoic acidHeptadecanoic acid, 2-ethyl-EINECS 274-170-1DTXSID50887681RefChem:145624DTXCID801026968274-170-169868-08-2SCHEMBL2492860GLPAVTPSAJIFMB-UHFFFAOYSA-NNS00061469
Database identifiers
- CAS
69868-08-2- PubChem CID
- 112167
- DTXSID
DTXSID50887681- EC Number
- 274-170-1
- Nikkaji
- J318.072G
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 380.63 °C · 380.63°C (estimate)
- Density
- 0.8865 · 0.8865 (rough estimate)
- refractive index
- 1.4458 · 1.4458 (estimate)
- EPA Substance Registry System
- 2 · 2-Ethylheptadecanoic acid (69868-08-2)
- 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 InformationHeptadecanoic acid, 2-ethyl-: INACTIVE
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Compound notes
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