Tripalmitin

Tripalmitin
Names
	IUPAC name 1,2,3-Propanetriyl trihexadecanoate
	Other names Palmitin; Glycerol tripalmitate; Glycerin tripalmitate; Glyceryl tripalmitate; Palmitic triglyceride; Tripalmitoyl glycerol
Identifiers
CAS Number	555-44-2 ;
3D model (JSmol)	Interactive image;
ChemSpider	10674;
ECHA InfoCard	100.008.272
EC Number	209-098-1;
PubChem CID	11147;
RTECS number	RT4953500;
UNII	D133ZRF50U ;
CompTox Dashboard (EPA)	DTXSID8046169 ;
	InChI InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3 Key: PVNIQBQSYATKKL-UHFFFAOYSA-N; InChI=1/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3 Key: PVNIQBQSYATKKL-UHFFFAOYAV;
	SMILES O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC;
Properties
Chemical formula	C51H98O6
Molar mass	807.339 g·mol−1
Appearance	White powder
Density	0.8752 g/cm3 (70 °C)
Melting point	44.7–67.4 °C (112.5–153.3 °F; 317.8–340.5 K)
Boiling point	315 °C (599 °F; 588 K) ; at 760 mmHg
Solubility in water	Insoluble
Solubility	Soluble in EtOH, (C2H5)2O, C6H6, CHCl3
Refractive index (nD)	1.4381 (80 °C)
Structure
Crystal structure	Triclinic (β-form)
Space group	P1 (β-form)
Thermochemistry
Heat capacity (C)	1219.4 J/mol·K (β-form, 281.2 K); 1753.1 J/mol·K (338.8 K)
Std molar; entropy (So298)	1387.4 J/mol·K (liquid)
Std enthalpy of; formation (ΔfH⦵298)	−2468.7 kJ/mol
Std enthalpy of; combustion (ΔcH⦵298)	−31605.9 kJ/mol
Hazards
EU classification (DSD) (outdated)	Xn
R-phrases (outdated)	R20/22
NFPA 704 (fire diamond)	0 1 0
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Tripalmitin is a triglyceride derived from the fatty acid palmitic acid.

References

^ ^a ^b ^c ^d Lide, David R., ed. (2009). CRC Handbook of Chemistry and Physics (90th ed.). Boca Raton, Florida: CRC Press. ISBN 978-1-4200-9084-0.
^ Hong, Jindui (2010). "Solid−Liquid−Gas Equilibrium of the Ternaries Ibuprofen + Myristic Acid + CO2and Ibuprofen + Tripalmitin + CO2". Journal of Chemical & Engineering Data. 55 (1): 297–302. doi:10.1021/je900342a.
^ ^a ^b Charbonnet, G. H.; Singleton, W. S. (1947). "Thermal properties of fats and oils". Journal of the American Oil Chemists' Society. 24 (5): 140. doi:10.1007/BF02643296. S2CID 101805872.
^ ^a ^b Van Langevelde, A.; Van Malssen, K.; Hollander, F.; Peschar, R.; Schenk, H. (1999). "Structure of mono-acid even-numbered β-triacylglycerols". Acta Crystallographica Section B. 55 (Pt 1): 114–122. doi:10.1107/S0108768198009392. PMID 10927345.
^ ^a ^b ^c ^d Tripalmitin in Linstrom, Peter J.; Mallard, William G. (eds.); NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg (MD), http://webbook.nist.gov (retrieved 2014-06-19)
^ "MSDS of Trimyristin". http://www.fishersci.ca. Fisher Scientific. Retrieved 2014-06-19.

[crc-1] Lide, David R., ed. (2009). CRC Handbook of Chemistry and Physics (90th ed.). Boca Raton, Florida: CRC Press. ISBN 978-1-4200-9084-0.

[2] Hong, Jindui (2010). "Solid−Liquid−Gas Equilibrium of the Ternaries Ibuprofen + Myristic Acid + CO2and Ibuprofen + Tripalmitin + CO2". Journal of Chemical & Engineering Data. 55 (1): 297–302. doi:10.1021/je900342a.

[spring-3] Charbonnet, G. H.; Singleton, W. S. (1947). "Thermal properties of fats and oils". Journal of the American Oil Chemists' Society. 24 (5): 140. doi:10.1007/BF02643296. S2CID 101805872.

[iucr-4] Van Langevelde, A.; Van Malssen, K.; Hollander, F.; Peschar, R.; Schenk, H. (1999). "Structure of mono-acid even-numbered β-triacylglycerols". Acta Crystallographica Section B. 55 (Pt 1): 114–122. doi:10.1107/S0108768198009392. PMID 10927345.

[nist-5] Tripalmitin in Linstrom, Peter J.; Mallard, William G. (eds.); NIST Chemistry WebBook, NIST Standard Reference Database Number 69, National Institute of Standards and Technology, Gaithersburg (MD), http://webbook.nist.gov (retrieved 2014-06-19)

[fca-6] "MSDS of Trimyristin". http://www.fishersci.ca. Fisher Scientific. Retrieved 2014-06-19.

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Names

IUPAC name 1,2,3-Propanetriyl trihexadecanoate
Other names Palmitin; Glycerol tripalmitate; Glycerin tripalmitate; Glyceryl tripalmitate; Palmitic triglyceride; Tripalmitoyl glycerol
Identifiers
CAS Number	555-44-2
3D model (JSmol)	Interactive image
ChemSpider	10674
ECHA InfoCard	100.008.272
EC Number	209-098-1
PubChem CID	11147
RTECS number	RT4953500
UNII	D133ZRF50U
CompTox Dashboard (EPA)	DTXSID8046169
InChI InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3 Key: PVNIQBQSYATKKL-UHFFFAOYSA-N InChI=1/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3 Key: PVNIQBQSYATKKL-UHFFFAOYAV
SMILES O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
Properties
Chemical formula	C₅₁H₉₈O₆
Molar mass	807.339 g·mol⁻¹
Appearance	White powder
Density	0.8752 g/cm³ (70 °C)^[1]
Melting point	44.7–67.4 °C (112.5–153.3 °F; 317.8–340.5 K)^[2]^[3]
Boiling point	315 °C (599 °F; 588 K) at 760 mmHg^[1]
Solubility in water	Insoluble
Solubility	Soluble in EtOH, (C₂H₅)₂O, C₆H₆, CHCl₃^[1]
Refractive index (n_D)	1.4381 (80 °C)^[1]
Structure
Crystal structure	Triclinic (β-form)^[4]
Space group	P1 (β-form)^[4]
Thermochemistry
Heat capacity (C)	1219.4 J/mol·K (β-form, 281.2 K) 1753.1 J/mol·K (338.8 K)^[3]^[5]
Std molar entropy (S^o₂₉₈)	1387.4 J/mol·K (liquid)^[5]
Std enthalpy of formation (Δ_fH^⦵₂₉₈)	−2468.7 kJ/mol^[5]
Std enthalpy of combustion (Δ_cH^⦵₂₉₈)	−31605.9 kJ/mol^[5]
Hazards
EU classification (DSD) (outdated)	Xn
R-phrases (outdated)	R20/22
NFPA 704 (fire diamond)	^[6] 0 1 0
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).