Basic information
- CAS
38447-22-2- Standard SMILES
CCC(C)OC(=O)CCCCC(=O)OC(C)CC- InChIKey
MIICPMNQUSMWGD-UHFFFAOYSA-N- Molecular formula
- C14H26O4
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.18310931
Names & identifiers
- Preferred name
- Di-sec-butyl adipate
- IUPAC
- dibutan-2-yl hexanedioate
- English name
- di-sec-butyl adipate
- Molecular formula
- C14H26O4
- Molecular weight
- 258.35
Names & synonyms
Di-sec-butyl adipateHexanedioic acid, bis(1-methylpropyl) ester38447-22-2EINECS 253-936-9AI3-32693NSC 58632RefChem:586070Hexanedioic acid, bis(1methylpropyl) ester253-936-9dibutan-2-yl hexanedioateNCIOpen2_002625Di(butan-2-yl) hexanedioate
Show more names
Adipic acid di(sec-butyl) esterHexanedioic acid di(sec-butyl) esterHexanedioic acid, 1,6-bis(1-methylpropyl) ester
Di(sec-butyl) hexanedioate #SCHEMBL10554751DTXSID20865916NSC58632NSC-58632NS00056712
Database identifiers
- CAS
38447-22-2- PubChem CID
- 96189
- DTXSID
DTXSID20865916- EC Number
- 253-936-9
- Nikkaji
- J121.805K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 224
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Esters, Other
Physicochemical properties
- Boiling point
- 427 °C · 427 °C(Press: 9.8 Torr)
- Density
- 0.966 · 0.966±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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