Nonadecanoic acid, 2-ethyl-
Completing data — refresh the page later to see the latest
Basic information
- CAS
69868-05-9- Standard SMILES
CCCCCCCCCCCCCCCCCC(CC)C(=O)O- InChIKey
SEVBTWRNJDEVHQ-UHFFFAOYSA-N- Molecular formula
- C21H42O2
- Average molar mass
- 326.6 g/mol
- Monoisotopic mass
- 326.31848058
Names & identifiers
- Preferred name
- Nonadecanoic acid, 2-ethyl-
- IUPAC
- 2-ethylnonadecanoic acid
- English name
- 2-ethylnonadecan-1-oic acid
- Molecular formula
- C21H42O2
- Molecular weight
- 326.56
Names & synonyms
2-Ethylnonadecanoic acidNonadecanoic acid, 2-ethyl-69868-05-9EINECS 274-167-5DTXSID80887679RefChem:166424DTXCID4010269662-Ethylnonadecan-1-oic acidSCHEMBL5878966SCHEMBL28793396SEVBTWRNJDEVHQ-UHFFFAOYSA-NNS00063103
Database identifiers
- CAS
69868-05-9- PubChem CID
- 112164
- DTXSID
DTXSID80887679- EC Number
- 274-167-5
- Nikkaji
- J318.069G
Properties
Computed structural propertiesFilling in
- XLogP
- 9.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 18
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 443.2 · 443.2±13.0 °C(Predicted)
- Density
- 0.882 · 0.882±0.06 g/cm3(Predicted)
- pka
- 4.82 · 4.82±0.25(Predicted)
- EPA Substance Registry System
- 2 · 2-Ethylnonadecanoic acid (69868-05-9)
- 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 InformationNonadecanoic acid, 2-ethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…