Basic information
- CAS
69868-07-1- Standard SMILES
CCCCCCCCCCCC(CC)C(=O)O- InChIKey
JOYFPRCUHVNXEU-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Names & identifiers
- Preferred name
- Tridecanoic acid, 2-ethyl-
- IUPAC
- 2-ethyltridecanoic acid
- English name
- 2-ethyltridecanoic acid
- Molecular formula
- C15H30O2
- Molecular weight
- 242.4
Names & synonyms
2-Ethyltridecanoic acidTridecanoic acid, 2-ethyl-EINECS 274-169-6DTXSID90887680RefChem:191448DTXCID101026967274-169-669868-07-12-Athyl-tridecansaureSCHEMBL1645397SCHEMBL28271071JOYFPRCUHVNXEU-UHFFFAOYSA-N
Show more names
NS00061835
Database identifiers
- CAS
69868-07-1- PubChem CID
- 112166
- DTXSID
DTXSID90887680- EC Number
- 274-169-6
- Nikkaji
- J318.071I
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 333.77 °C · 333.77°C (estimate)
- Density
- 0.8666 · 0.8666 (rough estimate)
- refractive index
- 1.4335 · 1.4335 (estimate)
- pka
- 4.82 · 4.82±0.25(Predicted)
- EPA Substance Registry System
- 2 · 2-Ethyltridecanoic acid (69868-07-1)
- 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 InformationTridecanoic acid, 2-ethyl-: INACTIVE
Suppliers1 total
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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