Product Name: Flexol Plasticizer PEP (CAS NO.26401-41-2)
Molecular Formula: C28H50O5
Molecular Weight: 466.78g/mol
Mol File: 26401-41-2.mol
Boiling point: 534.5 °C at 760 mmHg
Flash Point: 222.2 °C
Density: 0.994 g/cm3
Surface Tension: 36.2 dyne/cm
Enthalpy of Vaporization: 81.08 kJ/mol
Vapour Pressure: 1.67E-11 mmHg at 25°C
XLogP3-AA: 8.6
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of Flexol Plasticizer PEP (CAS NO.26401-41-2):
IUPAC Name: bis(8-methylnonyl) 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
Canonical SMILES: CC(C)CCCCCCCOC(=O)C1CC2C(O2)CC1C(=O)OCCCCCCCC(C)C
InChI: InChI=1S/C28H50O5/c1-21(2)15-11-7-5-9-13-17-31-27(29)23-19-25-26(33-25)20-24(23)28(30)32-18-14-10-6-8-12-16-22(3)4/h21-26H,5-20H2,1-4H3
InChIKey: QUCSUPGVEFBICW-UHFFFAOYSA-N
1. | skn-rbt 500 mg MLD open | UCDS** Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 1/12 ,1972. | ||
2. | orl-rat LD50:>63 mL/kg | EVHPAZ EHP, Environmental Health Perspectives. Subseries of DHEW Publications. 3 (1973),61. | ||
3. | skn-rbt LD :>20 mL/kg | UCDS** Union Carbide Data Sheet. (Industrial Medicine and Toxicology Dept., Union Carbide Corp., 270 Park Ave., New York, NY 10017) 1/12 ,1972. |
A poison by ingestion and skin contact. A skin irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
Flexol Plasticizer PEP , its CAS NO. is 26401-41-2, the synonyms are 7-Oxabicyclo(4.1.0)heptane-3,4-dicarboxylic acid,
diisodecyl ester ; Diisodecyl tetrahydro-4,5-epoxyphthalate ; Flexol PEP .
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