Di(2-ethylbutyl) adipate
Basic information
- CAS
10022-60-3- Standard SMILES
CCC(CC)COC(=O)CCCCC(=O)OCC(CC)CC- InChIKey
BSJVZANRYHAYEA-UHFFFAOYSA-N- Molecular formula
- C18H34O4
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.24570956
Names & identifiers
- Preferred name
- Di(2-ethylbutyl) adipate
- IUPAC
- bis(2-ethylbutyl) hexanedioate
- English name
- DI(2-ETHYLBUTYL)ADIPATE
- Molecular formula
- C18H34O4
- Molecular weight
- 314.47
Names & synonyms
Di(2-ethylbutyl) adipate10022-60-3DTXSID8073134RefChem:1083239DTXCID6032485bis(2-ethylbutyl) hexanedioateDI(2-ETHYLBUTYL)ADIPATEhexanedioic acid bis(2-ethylbutyl) esterBRN 1799763Adipic acid, di(2-ethylbutyl) esterADIPIC ACID, BIS(2-ETHYLBUTYL) ESTERBis-(2-ethylbutyl)ester kyseliny adipove [Czech]
Show more names
Bis(2-ethylbutyl)hexanedioateAdipic acid bis(2-ethylbutyl) ester
Bis-(2-ethylbutyl)ester kyseliny adipoveHexanedioic acid, bis(2-ethylbutyl) esterSCHEMBL420275Hexanedioic acid, 1,6-bis(2-ethylbutyl) ester
Database identifiers
- CAS
10022-60-3- PubChem CID
- 24799
- DTXSID
DTXSID8073134- Nikkaji
- J33.782J
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 263
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -15 °C · -15°C
- Boiling point
- 374.13 °C · 374.13°C (rough estimate)
- Density
- 0.934 · 0.9340
- refractive index
- 1.4434 · 1.4434 (estimate)
- EPA Substance Registry System
- Di(2-ethylbutyl) adipate (10022-60-3)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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