Nonanedioic acid, 1,9-dinonyl ester
Basic information
- CAS
18803-78-6- Standard SMILES
CCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCC- InChIKey
KAKCWCBEABKVPK-UHFFFAOYSA-N- Molecular formula
- C27H52O4
- Average molar mass
- 440.7 g/mol
- Monoisotopic mass
- 440.38656014
Names & identifiers
- Preferred name
- Nonanedioic acid, 1,9-dinonyl ester
- IUPAC
- dinonyl nonanedioate
- English name
- dinonyl azelate
- Molecular formula
- C27H52O4
- Molecular weight
- 440.69938
Names & synonyms
Dinonyl nonanedioateNonanedioic acid, 1,9-dinonyl esterEINECS 242-593-0RefChem:854499Nonanedioic acid, dinonyl ester18803-78-6Dinonyl azelatedinonyl-azelate1,9-DINONYL NONANEDIOATEFW63LJ5KQ3SCHEMBL3871547DTXSID8066420
Show more names
Nonanedioic acid dinonyl ester
KAKCWCBEABKVPK-UHFFFAOYSA-NNS00026160
Database identifiers
- CAS
18803-78-6- PubChem CID
- 87805
- DTXSID
DTXSID8066420- UNII
- FW63LJ5KQ3
- EC Number
- 242-593-0
- Nikkaji
- J222.312K
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 26
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- EPA Substance Registry System
- Nonanedioic acid, dinonyl ester (18803-78-6)
- 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
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationNonanedioic acid, 1,9-dinonyl ester: INACTIVE
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Compound notes
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