Basic information
- CAS
40778-30-1- Standard SMILES
CCCCCCCC(C(C)=O)C(=O)OCC- InChIKey
QPFZUKLNMHJNCE-UHFFFAOYSA-N- Molecular formula
- C13H24O3
- Average molar mass
- 228.33 g/mol
- Monoisotopic mass
- 228.17254462
Names & identifiers
- Preferred name
- Ethyl 2-acetylnonanoate
- IUPAC
- ethyl 2-acetylnonanoate
- English name
- Ethyl 2-acetylnonanoate
- Molecular formula
- C13H24O3
- Molecular weight
- 228.33
Names & synonyms
Ethyl 2-acetylnonanoate40778-30-1Nonanoic acid, 2-acetyl-, ethyl esterEthyl 2-heptylacetoacetateEthyl .alpha.-n-heptylacetoacetateEINECS 255-075-4Ethyl 2-acetylnonanoate #SCHEMBL1393537DTXSID70866014NSC158608AKOS024333416NSC 158608
Show more names
Ethyl 2-heptylacetoacteateethyl 2-acetylnonan-1-oateQPFZUKLNMHJNCE-UHFFFAOYSA-N2-ACETYL-NONANOIC ACID ETHYL ESTER2-Heptylacetoacetic acid ethyl ester
NSC-158608NS00057710
Database identifiers
- CAS
40778-30-1- PubChem CID
- 98975
- DTXSID
DTXSID70866014- EC Number
- 255-075-4
- Nikkaji
- J294.757I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 162 · 162-163 °C(Press: 18 Torr)
- Density
- 0.9291 g/cm3 · 0.9291 g/cm3
- pka
- 11.85 · 11.85±0.59(Predicted)
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
Regulatory InformationChemical: Nonanoic acid, 2-acetyl-, ethyl ester
Chemistry & industry
Suppliers3 total
重庆卡兰医药有限公司[email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…