2-Butenedioic acid (2Z)-, dioctadecyl ester
Basic information
- CAS
7516-70-3- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCCCCCCC- InChIKey
XHSDDKAGJYJAQM-UHFFFAOYSA-N- Molecular formula
- C40H76O4
- Average molar mass
- 621 g/mol
- Monoisotopic mass
- 620.5743609
Names & identifiers
- Preferred name
- 2-Butenedioic acid (2Z)-, dioctadecyl ester
- IUPAC
- dioctadecyl but-2-enedioate
- English name
- dioctadecyl maleate
- Molecular formula
- C40H76O4
- Molecular weight
- 621.03
Names & synonyms
2-Butenedioic acid (2Z)-, dioctadecyl esterRefChem:4677312-Butenedioic acid (2E)-, dioctadecyl esterdioctadecyl but-2-enedioateSCHEMBL134088Distearyl maleateEinecs 231-372-4dioctadecyl maleateMaleic acid dioctadecyl ester(Z)-2-Butenedioic acid dioctadecyl ester2-Butenedioic acid (2Z)-, 1,4-dioctadecyl ester
Database identifiers
- CAS
7516-70-3- PubChem CID
- 81699
Properties
Computed structural properties
- XLogP
- 17.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 38
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 562
Physicochemical properties
- Boiling point
- 654.7 · 654.7±28.0 °C(Predicted)
- Density
- 0.9 · 0.900±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · 2-Butenedioic acid (2Z)-, dioctadecyl ester (7516-70-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- 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 Information2-Butenedioic acid (2Z)-, dioctadecyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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