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ChemicalBook--->CAS DataBase List--->139-44-6

139-44-6

139-44-6 Structure

139-44-6 Structure
IdentificationBack Directory
[Name]

1,2,3-propanetriyl tris(12-hydroxyoctadecanoate)
[CAS]

139-44-6
[Synonyms]

trihydroxy
TRIHYDROXYSTEARIN
Tri-12-hydroxytristearin
Glycerol 12-hydroxystearate
GLYCEROLTRIS(12-HYDROXYSTEARATE)
12-Hydroxystearic acid triglyceride
L-Glycerol tris(12-hydroxystearate)
1,2,3-propanetriyl tris(12-hydroxyoctadecanoate)
Octadecanoic acid, 12-hydroxy-, triester with glycerol
Octadecanoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester
Tris(12-hydroxyoctadecanoic acid)1,2,3-propanetriyl ester
1,2,3-propanetriyl tris(12-hydroxyoctadecanoate) USP/EP/BP
Octadecanoic acid, 12-hydroxy-, 1,1',1''-(1,2,3-propanetriyl) ester
1,3-bis(12-hydroxyoctadecanoyloxy)propan-2-yl 12-hydroxyoctadecanoate
12-hydroxystearic acid [2-(12-hydroxyoctadecanoyloxy)-1-(12-hydroxyoctadecanoyloxymethyl)ethyl] ester
[EINECS(EC#)]

205-364-6
[Molecular Formula]

C57H110O9
[MDL Number]

MFCD14636467
[MOL File]

139-44-6.mol
[Molecular Weight]

939.48
Chemical PropertiesBack Directory
[Melting point ]

89.4 °C
[Boiling point ]

872.4±30.0 °C(Predicted)
[density ]

0.964±0.06 g/cm3(Predicted)
[pka]

15.10±0.20(Predicted)
[LogP]

18.484 (est)
[EPA Substance Registry System]

Glyceryl tris(12-hydroxystearate) (139-44-6)
Hazard InformationBack Directory
[Description]

Glyceryl tris-12-hydroxystearate is a triester of glycerol and 12-hydroxystearic acid, a hydroxy fatty acid that is formed from the hydrogenation of the predominant castor oil fatty acid. Hydrogenation of castor oil results in a substance that is a waxy solid in nature which is also known as castor wax. In addition to its use as a pesticide product inert ingredient, glyceryl tris12-hdyroxystearate is used as a component of speciality wax blends like crayons, lipsticks, and stick deodorants.
[Uses]

Trihydroxystearin is used in cosmetic compositions.
[Definition]

Glyceryl tris- 12-hydroxystearate is a triester of glycerol and 12-hydroxystearic acid, a hydroxy fatty acid that is formed from the hydrogenation of the predominant castor oil fatty acid (O'Shea, 205). The chemical structure of glyceryl tris-12-hydroxystearate corresponds to hlly hydrogenated castor oil. Hydrogenation of castor oil results in a substance that is a waxy solid in nature which is also known as castor wax. The hydrogenated form of castor oil has a wide array of uses including cosmetic and pharmaceutical applications.
[Hazard]

Glyceryl tris-12-hydroxystearate is a triglyceride that is similar to many other fats and oils and is the fully hydrogenated form of the predominant castor oil fatty acid. Glyceryl tris-12- hydroxystearate is not expected to be absorbed via any route of exposure and is of low concern for human health effects. Glyceryl tris-12-hydroxystearate is also readily degraded in the environment. Taking into consideration all available information on glyceryl tris- 12-hydroxystearate, it has been determined that there is a reasonable certainty that no harm to any population subgroup will result fi-om aggregate exposure to glyceryl tris- 12-hydroxystearate when considering dietary exposure and all other non-occupational sources of pesticide exposure for which there is reliable information. Therefore, it is recommended that the exemptions from the requirement of a tolerance established for residues of glyceryl tris-12-hydroxystearate idon raw agricultural commodities can be considered reassessed as safe under section 408(q) of the FFDCA.
[Health Hazard]

Glyceryl tris-12-hydroxystearate is a hydrogenated form of castor oil. There is no readily available toxicity data on glyceryl tris-12-hydroxystearate. Limited data are available on castor oil; as part of the Joint FAOIWHO Expert Committee on Food Additives (JECFA) evaluation of castor oil as a food additive, it was noted that while low doses of castor oil are absorbed by humans, higher does are not absorbed and laxation is observed, consistent with its long history of use as a laxative (JECFA, 1979). A structure activity relationship analysis of glyceryl tris-12- hydroxystearate was conducted by the Office of Pollution Prevention and Toxics (OPPT) Structure Activity Team. The OPPT assessment concluded that glyceryl tris-12-hydroxystearate was poorly absorbed via all routes of exposure and is of low concern for human health effects, with no identified health concerns (Appendix A).
[Pharmacokinetics]

Glyceryl tris-12-hydroxystearate is expected to be poorly absorbed by the gastrointestinal (GI) tract (OPPT, 2004). While no pharmacokinetic data are available on glyceryl tris-12- hydroxysterate, as an orally-administered laxative, castor oil is not absorbed in the GI tract and is excreted unchanged in the feces. As part of its review of castor oil and derivatives as food additives, the European Commission's Scientific Committee for Food noted that small doses of castor oil are hydrolyzed and absorbed completely and can be stored and metabolized similar to dietary fatty acids (SCF, 2003).
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