Basic information
- CAS
83803-54-7- Standard SMILES
CCCCCCCCCC1(C)OC1C(=O)OCC- InChIKey
YHCBZNQNUSFQOF-UHFFFAOYSA-N- Molecular formula
- C15H28O3
- Average molar mass
- 256.38 g/mol
- Monoisotopic mass
- 256.20384475
Names & identifiers
- Preferred name
- 2-Oxiranecarboxylic acid, 3-methyl-3-nonyl-, ethyl ester
- IUPAC
- ethyl 3-methyl-3-nonyloxirane-2-carboxylate
- English name
- ethyl 3-methyl-3-nonyloxirane-2-carboxylate
- Molecular formula
- C15H28O3
- Molecular weight
- 256.38102
Names & synonyms
EINECS 280-872-9NSC 26485Oxiranecarboxylic acid, 3-methyl-3-nonyl-, ethyl ester2-Oxiranecarboxylic acid, 3-methyl-3-nonyl-, ethyl esterDTXSID70868755RefChem:477592DTXCID10816836Ethyl 3-methyl-3-nonyloxirane-2-carboxylate83803-54-7NSC26485YHCBZNQNUSFQOF-UHFFFAOYSA-NNSC-26485
Show more names
2,3-Epoxy-3-methyldodecanoic acid ethyl ester3-Nonyl-3-methyl-2-oxiranecarboxylic acid ethyl ester
DS-004325NS000624902-Oxiranecarboxylicacid, 3-methyl-3-nonyl-, ethyl ester
Database identifiers
- CAS
83803-54-7- PubChem CID
- 95643
- DTXSID
DTXSID70868755- EC Number
- 280-872-9
- Nikkaji
- J27.192F
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- EPA Substance Registry System
- 3 · Oxiranecarboxylic acid, 3-methyl-3-nonyl-, ethyl ester (83803-54-7)
- 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.
Hazard information
Regulatory InformationChemical: Oxiranecarboxylic acid, 3-methyl-3-nonyl-, ethyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Oxiranecarboxylic acid, 3-methyl-3-nonyl-, ethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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