3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione
Basic information
- CAS
13988-26-6- Standard SMILES
O=C1OCCOCCOC(=O)c2ccccc21- InChIKey
LZEGUDFMCKJMPX-UHFFFAOYSA-N- Molecular formula
- C12H12O5
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.06847348
Names & identifiers
- Preferred name
- 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione
- IUPAC
- 3,6,9-trioxabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione
- English name
- 3,4,6,7-tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione
- Molecular formula
- C12H12O5
- Molecular weight
- 236.22
Names & synonyms
3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione2,5,8-Benzotrioxacycloundecin-1,9-dione, 3,4,6,7-tetrahydro-Diethylene glycol bisphthalateYAT5RQ8XVNDTXSID3051705RefChem:90953DTXCID303026013988-26-6Diethylene Glycol Cyclic Phthalate3,6,9-trioxabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione1,3,4,6,7,9-hexahydro-2,5,8-benzotrioxacycloundecine-1,9-dione3,4,6,7-tetrahydrobenzo[i][1,4,7]trioxacycloundecine-1,9-dione
Show more names
Howflex GBPTerizidone Impurity 23,4,6,7-tetrahydro-2,5,8-benzotrioxacycloundecin-13,4,6,7-tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dion
BRN 1380048Phthalic acid, cyclic oxydiethylene esterEINECS 237-784-0PA-DEGUNII-YAT5RQ8XVN3,4,6,7-tetrahydro-2,5,8-benzotrioxacycloundecine-1,9-dioneorb3177953NAA98826
Database identifiers
- CAS
13988-26-6- PubChem CID
- 84135
- DTXSID
DTXSID3051705- UNII
- YAT5RQ8XVN
- EC Number
- 237-784-0
- Nikkaji
- J107.138F
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 298.68 °C · 298.68°C (rough estimate)
- Density
- 1.1663 · 1.1663 (rough estimate)
- refractive index
- 1.4571 · 1.4571 (estimate)
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 RQ8XVN · YAT5RQ8XVN
- EPA Substance Registry System
- 2 · 2,5,8-Benzotrioxacycloundecin-1,9-dione, 3,4,6,7-tetrahydro- (13988-26-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,5,8-Benzotrioxacycloundecin-1,9-dione, 3,4,6,7-tetrahydro-: INACTIVE
Applications
UsesDiethylene Glycol Bisphthalate is used in the preparations of macrocycles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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