Molecule structure of Dibutyl (diethylene glycol bisphthalate) (CAS NO.7483-25-2):
IUPAC Name: 2-O-[2-[2-(2-Butoxycarbonylbenzoyl)oxyethoxy]ethyl] 1-O-butyl benzene-1,2-dicarboxylate
Molecular Weight: 514.56416 g/mol
Molecular Formula: C28H34O9
Density: 1.168 g/cm3
Boiling Point: 545.1 °C at 760 mmHg
Flash Point: 227.9 °C
Index of Refraction: 1.531
Molar Refractivity: 136.35 cm3
Molar Volume: 440.3 cm3
Polarizability: 54.05×10-24 cm3
Surface Tension: 44.8 dyne/cm
Enthalpy of Vaporization: 82.38 kJ/mol
Vapour Pressure: 6.14E-12 mmHg at 25 °C
XLogP3: 6
H-Bond Acceptor: 9
Rotatable Bond Count: 20
Exact Mass: 514.220283
MonoIsotopic Mass: 514.220283
Topological Polar Surface Area: 114
Heavy Atom Count: 37
Complexity: 650
Canonical SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCOC(=O)C2=CC=CC=C2C(=O)OCCCC
InChI: InChI=1S/C28H34O9/c1-3-5-15-34-25(29)21-11-7-9-13-23(21)27(31)36-19-17-33-18-20-37-28(32)24-14-10-8-12-22(24)26(30)35-16-6-4-2/h7-14H,3-6,15-20H2,1-2H3
InChIKey of Dibutyl (diethylene glycol bisphthalate) (CAS NO.7483-25-2): QOHGWJJKTCUFDB-UHFFFAOYSA-N
1. | orl-rat LD50:11 g/kg | EVHPAZ EHP, Environmental Health Perspectives. Subseries of DHEW Publications. 4 (1973),3. | ||
2. | ipr-rat LD50:11,200 mg/kg | FCTXAV Food and Cosmetics Toxicology. 4 (1966),383. | ||
3. | orl-mus LD50:10,300 mg/kg | FCTXAV Food and Cosmetics Toxicology. 4 (1966),383. | ||
4. | ipr-mus LD50:8400 mg/kg | FCTXAV Food and Cosmetics Toxicology. 4 (1966),383. |
Mildly toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating fumes.
Dibutyl (diethylene glycol bisphthalate) (CAS NO.7483-25-2) is also named as Howflex GBP ; Diethylene glycol, diester with butylphthalate .
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