Dibutyl suberate
Basic information
- CAS
16090-77-0- Standard SMILES
CCCCOC(=O)CCCCCCC(=O)OCCCC- InChIKey
LBXQUCHUHCBNTC-UHFFFAOYSA-N- Molecular formula
- C16H30O4
- Average molar mass
- 286.41 g/mol
- Monoisotopic mass
- 286.21440943
Names & identifiers
- Preferred name
- Dibutyl suberate
- IUPAC
- dibutyl octanedioate
- English name
- Dibutyl suberate
- Molecular formula
- C16H30O4
- Molecular weight
- 286.41
Names & synonyms
Dibutyl suberate16090-77-0A5BJW9MEQ4DTXSID30167039RefChem:1083398DTXCID3089530240-251-5dibutyl octanedioateSuberic acid, dibutyl esterOctanedioic acid, dibutyl esterSuberic acid di-n-butyl esterOCTANEDIOIC ACID DIBUTYL ESTER
Show more names
ibutyloctanedioateoctanedioicaciddibutylester
Octanedioic acid, 1,8-dibutyl esterEINECS 240-251-5SCHEMBL116413AKOS015915582FS172230DB-254413NS00025244S-9010
Database identifiers
- CAS
16090-77-0- PubChem CID
- 85278
- DTXSID
DTXSID30167039- UNII
- A5BJW9MEQ4
- EC Number
- 240-251-5
- Nikkaji
- J46.716B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 175.5 °C4.5 · 175.5 °C4.5 mm Hg(lit.)
- Density
- 0.948 g/mL · 0.948 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.439(lit.)
- Flash point
- 230 °F · >230 °F
- LogP
- 4.939 · 4.939 (est)
- NIST Chemistry Reference
- Octanedioic acid, dibutyl ester(16090-77-0)
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesDibutyl Suberate (CAS# 16090-77-0) can be used as an alternative for sanitization of citrus fruits. In addition, this compound potentially might possess acute toxicity to Tetrahymena pyriformis based on the model known as partial least squares.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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