Basic Information | Post buying leads | Suppliers |
Name |
Labrafil |
EINECS | N/A |
CAS No. | 62563-68-2 | Density | N/A |
PSA | 162.98000 | LogP | 10.26650 |
Solubility | N/A | Melting Point |
N/A |
Formula | C43H88O10 | Boiling Point | 359.4oC at 760 mmHg |
Molecular Weight | 765.15282 | Flash Point | 162.4oC |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-[1,3-bis(2-hydroxyethoxy)propan-2-yloxy]ethanol; hexadecanoic acid; octadecanoic acid; |
Labrafil, with the CAS NO.62563-68-2, has the Synonyms of Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.,.alpha.-1,2,3-propanetriyltris.omega.-hydroxy-, hexadecanoate octadecanoate; LABRAFILM1944; POLYETHYLENEPALMITOSTEARICGLYCERIDE; LABRAFILS; A & S Labrafil M1944CS.
Physical properties about Labrafil are: (1)ACD/LogP: 8.216; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 16; (6)Flash Point: 162.4 °C; (7)Enthalpy of Vaporization: 63.84 kJ/mol; (8)Boiling Point: 359.4 °C at 760 mmHg; (9)Vapour Pressure: 8.58E-06 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O)CCCCCCCCCCCCCCC.O=C(O)CCCCCCCCCCCCCCCCC.O(CCO)CC(OCCO)COCCO;
(2)Std. InChI:InChI=1S/C18H36O2.C16H32O2.C9H20O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;10-1-4-13-7-9(15-6-3-12)8-14-5-2-11/h2-17H2,1H3,(H,19,20);2-15H2,1H3,(H,17,18);9-12H,1-8H2;
(3)Std. InChIKey:OIQOAYVCKAHSEJ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 5200ug/kg (5.2mg/kg) | Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 296, 1970. |