Basic information
- CAS
1793-10-8- Standard SMILES
CC(C)CCOC(=O)CC(O)(CC(=O)OCCC(C)C)C(=O)OCCC(C)C- InChIKey
ZGJMYWFCNCIEFN-UHFFFAOYSA-N- Molecular formula
- C21H38O7
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.26175356
Names & identifiers
- Preferred name
- Triisopentyl citrate
- IUPAC
- tris(3-methylbutyl) 2-hydroxypropane-1,2,3-tricarboxylate
- English name
- triisopentyl citrate
- Molecular formula
- C21H38O7
- Molecular weight
- 402.52222
Names & synonyms
Triisopentyl citrate1793-10-8tris(3-methylbutyl) 2-hydroxypropane-1,2,3-tricarboxylate1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tris(3-methylbutyl) estertris(3-methylbutyl) citrateEINECS 217-260-8SCHEMBL723396DTXSID40170791ZGJMYWFCNCIEFN-UHFFFAOYSA-NNS00025902Citric acid triisopentyl ester
Database identifiers
- CAS
1793-10-8- PubChem CID
- 74526
- DTXSID
DTXSID40170791- EC Number
- 217-260-8
- Nikkaji
- J203.188D
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 455
Chemistry & industry
Suppliers3 total
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…