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Basic information
- CAS
67893-05-4- Standard SMILES
CCCC(=O)C(C)CC(=O)OCC- InChIKey
DXRJGHNIYCEKBM-UHFFFAOYSA-N- Molecular formula
- C10H18O3
- Average molar mass
- 186.251 g/mol
- Monoisotopic mass
- 186.12559444
Names & identifiers
- Preferred name
- Heptanoic acid, 3-methyl-4-oxo-, ethyl ester
- IUPAC
- Ethyl 3-methyl-4-oxoheptanoate
- English name
- ethyl 3-methyl-4-oxoheptanoate
- Molecular formula
- C10H18O3
- Molecular weight
- 186.25
Names & synonyms
Einecs 267-608-8ethyl 3-methyl-4-oxoheptanoateEthyl 3-methyl-4-ketoheptanoate3-Methyl-4-oxoheptanoic acid ethyl esterHeptanoic acid, 3-methyl-4-oxo-, ethyl ester
Database identifiers
- CAS
67893-05-4- PubChem CID
- 106945
- DTXSID
DTXSID40887019- UNII
- 359ZQ88J6B
- EC Number
- 267-608-8
- Nikkaji
- J287.651E
Properties
Physicochemical properties
- Boiling point
- 81 · 81-83 °C(Press: 2 Torr)
- Density
- 0.957 · 0.957±0.06 g/cm3(Predicted)
- FDA UNII
- 359 ZQ88J6B · 359ZQ88J6B
- EPA Substance Registry System
- 3 · Ethyl 3-methyl-4-ketoheptanoate (67893-05-4)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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