Basic information
- CAS
68186-70-9- Standard SMILES
CC(C)CCCCCCCOC(=O)C=CC(=O)O- InChIKey
IOERSEDKYYZDFT-UHFFFAOYSA-N- Molecular formula
- C14H24O4
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.16745924
Names & identifiers
- Preferred name
- 2-Butenedioic acid (2Z)-, isodecyl ester
- IUPAC
- 4-(8-methylnonoxy)-4-oxobut-2-enoic acid
Names & synonyms
2-Butenedioic acid (2Z)-, isodecyl ester68186-70-9DTXSID9071210RefChem:85978DTXCID8045646IOERSEDKYYZDFT-UHFFFAOYSA-N4-(8-methylnonoxy)-4-oxobut-2-enoic acidNS00128130
Database identifiers
- CAS
68186-70-9- PubChem CID
- 109693
- DTXSID
DTXSID9071210
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
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 Information
Chemical: 2-Butenedioic acid (Z) -, isodecyl ester
2-Butenedioic acid (2Z)-, isodecyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Maleic acid esters (medium to long chain)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butenedioic acid (2Z)-, isodecyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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