Basic information
- CAS
7790-07-0- Standard SMILES
CCC(CC)COCCOC(=O)CCCCC(=O)OCCOCC(CC)CC- InChIKey
VHCPQIOKWWQIRV-UHFFFAOYSA-N- Molecular formula
- C22H42O6
- Average molar mass
- 402.6 g/mol
- Monoisotopic mass
- 402.29813906
Names & identifiers
- Preferred name
- Adipic acid, bis(2-(2-ethylbutoxy)ethyl) ester
- IUPAC
- bis[2-(2-ethylbutoxy)ethyl] hexanedioate
- English name
- bis[2-(2-ethylbutoxy)ethyl] hexanedioate
- Molecular formula
- C22H42O6
- Molecular weight
- 402.57
Names & synonyms
Bis[2-(2-ethylbutoxy)ethyl] adipateBRN 1806612Di-2-(2-ethylbutoxy)ethyl adipateAdipic acid, di(2-(2-ethylbutoxy)ethyl) esterBis(2-(2-ethylbutoxy)ethyl) adipateADIPIC ACID, BIS(2-(2-ETHYLBUTOXY)ETHYL) ESTERDi-(2-(2-ethylbutoxy)ethyl)ester kyseliny adipove [Czech]DTXSID30731333-02-00-01717 (Beilstein Handbook Reference)Di-(2-(2-ethylbutoxy)ethyl)ester kyseliny adipoveHexanedioic acid, bis(2-(2-ethylbutoxy)ethyl) esterRefChem:317301
Show more names
DI(2-(2-ETHYLBUTOXY))ETHYLADIPATEAdipic acid bis[2-(2-ethylbutoxy)ethyl] ester
DTXCID20480827790-07-0bis[2-(2-ethylbutoxy)ethyl] hexanedioatePCH9ZV532V1,6-BIS[2-(2-ETHYLBUTOXY)ETHYL] HEXANEDIOATESCHEMBL3266585hexanedioic acid bis-(2-(2-ethyl-butoxy)-ethyl) esterHexanedioic acid, 1,6-bis[2-(2-ethylbutoxy)ethyl] ester
Database identifiers
- CAS
7790-07-0- PubChem CID
- 24628
- DTXSID
DTXSID3073133- UNII
- PCH9ZV532V
- Nikkaji
- J33.781A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 21
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Boiling point
- 444.68 °C · 444.68°C (rough estimate)
- Density
- 1.0412 · 1.0412 (rough estimate)
- refractive index
- 1.4593 · 1.4593 (estimate)
- EPA Substance Registry System
- 2 · Bis[2-(2-ethylbutoxy)ethyl] adipate (7790-07-0)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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