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13988-26-6

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Basic Information
CAS No.: 13988-26-6
Name: 3,4,6,7-tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione
Molecular Structure:
Molecular Structure of 13988-26-6 (3,4,6,7-tetrahydro-2,5,8-benzotrioxacycloundecin-1,9-dione)
Formula: C12H12O5
Molecular Weight: 236.224
Synonyms: Phthalicacid, cyclic oxydiethylene ester (8CI);Diethylene glycol, cyclic phthalate(8CI);Diethylene glycol bisphthalate;
EINECS: 237-784-0
Density: 1.236 g/cm3
Boiling Point: 500 °C at 760 mmHg
Flash Point: 228 °C
PSA: 61.83000
LogP: 1.03040
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Chemistry

Molecular Structure of 2,5,8-Benzotrioxacycloundecin-1,9-dione, 3,4,6,7-tetrahydro- (CAS NO.13988-26-6):

IUPAC Name: 3,6,9-trioxabicyclo[9.4.0]pentadeca-1(15),11,13-triene-2,10-dione
EINECS: 237-784-0
Empirical Formula: C12H12O5
Molecular Weight: 236.2207
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 61.83 Å2
Index of Refraction: 1.512
Molar Refractivity: 57.33 cm3
Molar Volume: 191 cm3
Surface Tension: 41.2 dyne/cm
Density: 1.236 g/cm3
Flash Point: 228 °C
Enthalpy of Vaporization: 76.85 kJ/mol
Boiling Point: 500 °C at 760 mmHg
Vapour Pressure: 3.95E-10 mmHg at 25°C
Product Categories: Phenyl
InChI
InChI=1/C12H12O5/c13-11-9-3-1-2-4-10(9)12(14)17-8-6-15-5-7-16-11/h1-4H,5-8H2
Smiles
C1(c2c(C(OCCOCCO1)=O)cccc2)=O

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

  2,5,8-Benzotrioxacycloundecin-1,9-dione, 3,4,6,7-tetrahydro- , with CAS number of 13988-26-6, can be called 2,5,8-benzotrioxacycloundecin-1,9-dione, 3,4,6,7-tetrahydro- ; 3,4,6,7-Tetrahydro-2,5,8-benzotrioxacycloundecine-1,9-dione .