Dioctyl terephthalate
Basic information
- CAS
4654-26-6- Standard SMILES
CCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)cc1- InChIKey
OEIWPNWSDYFMIL-UHFFFAOYSA-N- Molecular formula
- C24H38O4
- Average molar mass
- 390.6 g/mol
- Monoisotopic mass
- 390.2770097
Names & identifiers
- Preferred name
- Dioctyl terephthalate
- IUPAC
- dioctyl benzene-1,4-dicarboxylate
- English name
- dioctyl terephthalate
- Molecular formula
- C24H38O4
- Molecular weight
- 390.56
Names & synonyms
Dioctyl terephthalate4654-26-6di-n-octyl terephthalate1,4-Benzenedicarboxylic acid, dioctyl esterEINECS 225-091-6EZS4NL164SBRN 2225100DTXSID3021699RefChem:588727Terephthalic acid, dioctyl ester (6CI,7CI,8CI)DTXCID601699225-091-6
Show more names
Terephthalic acid dioctyl ester1,4-Benzenedicarboxylic acid, 1,4-dioctyl ester
dioctyl benzene-1,4-dicarboxylateDi-n-octylterephthalateUNII-EZS4NL164SSCHEMBL43953Terephthalic acid, dioctyl esterAKOS015899752DB-220403CS-0166856
Database identifiers
- CAS
4654-26-6- PubChem CID
- 62546
- DTXSID
DTXSID3021699- UNII
- EZS4NL164S
- EC Number
- 225-091-6
- Nikkaji
- J297.871G
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Melting point
- 41 · 41-42 °C
- Boiling point
- 435.74 °C · 435.74°C (rough estimate)
- Density
- 1.0101 · 1.0101 (rough estimate)
- refractive index
- 1.446 · 1.4460 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- InChI
- InChI=1S/C24H38O4/c1-3-5-7-9-11-13-19-27-23(25)21-15-17-22(18-16-21)24(26)28-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3
- InChIKey
- OEIWPNWSDYFMIL-UHFFFAOYSA-N
- SMILES
- C1(C(OCCCCCCCC)=O)=CC=C(C(OCCCCCCCC)=O)C=C1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4 NL164S · EZS4NL164S
- EPA Substance Registry System
- Dioctyl terephthalate (4654-26-6)
Chemistry & industry
Applications
UsesDioctyl terephthalate has a low melting point and good heat resistance, cold resistance and low volatility. It is particularly suitable for processing PVC plastics, giving the products excellent electrical insulation properties, durability, soap water resistance and low temperature flexibility.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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