Nonanedioic acid,1,9-bis[2-(ethoxycarbonyl)phenyl] ester
Basic information
- CAS
207972-39-2- Standard SMILES
CCOc1ccccc1C(=O)OC(=O)CCCCCCCC(=O)OC(=O)c1ccccc1OCC- InChIKey
OMIDTLXLZCJWDM-UHFFFAOYSA-N- Molecular formula
- C27H32O8
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.20971797
Names & identifiers
- Preferred name
- Nonanedioic acid,1,9-bis[2-(ethoxycarbonyl)phenyl] ester
- IUPAC
- bis(2-ethoxybenzoyl) nonanedioate
- English name
- Azeloyl di(ethyl salicylate)
- Molecular formula
- C27H32O8
- Molecular weight
- 484.53818
Names & synonyms
Nonanedioic acid,1,9-bis[2-(ethoxycarbonyl)phenyl] esterbis(2-ethoxybenzoyl) nonanedioateDTXSID80724999TU2100TU-2100TU 2100Azasal-2100TU 2100,TU2100Azeloyl di(ethyl salicylate)Nonanedioic acid, 1,9-bis[2-(ethoxycarbonyl)phenyl] ester
Database identifiers
- CAS
207972-39-2- PubChem CID
- 57375652
- DTXSID
DTXSID80724999
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 620
Physicochemical properties
- Boiling point
- 576.3 · 576.3±35.0 °C(Predicted)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- LogP
- 4.96 · 4.960 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 P1YVC1J3O · 6P1YVC1J3O
Chemistry & industry
Applications
UsesTU-2100 is an active compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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