Triacetin information

Triacetin^[1]
Names
	Systematic IUPAC name Propane-1,2,3-triyl triacetate
	Other names Glycerol triacetate; glycerin triacetate; 1,2,3-triacetylglycerol; 1,2,3-triacetoxypropane;
Identifiers
CAS Number	102-76-1 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:9661 ;
ChEMBL	ChEMBL1489254 ;
ChemSpider	13835706 ;
ECHA InfoCard	100.002.775
EC Number	203-051-9;
E number	E1518 (additional chemicals)
KEGG	D00384 ;
PubChem CID	5541;
RTECS number	AK3675000;
UNII	XHX3C3X673 ;
CompTox Dashboard (EPA)	DTXSID3026691 ;
	InChI InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3 Key: URAYPUMNDPQOKB-UHFFFAOYSA-N ; InChI=1/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3 Key: URAYPUMNDPQOKB-UHFFFAOYAH;
	SMILES CC(=O)OC(COC(=O)C)COC(C)=O;
Properties
Chemical formula	C9H14O6
Molar mass	218.205 g·mol−1
Appearance	Oily liquid
Density	1.155 g/cm3
Melting point	−78 °C (−108 °F; 195 K) ; at 760 mmHg
Boiling point	259 °C (498 °F; 532 K) ; at 760 mmHg
Solubility in water	6.1 g/100 mL
Solubility	Miscible in EtOH; Soluble in C6H6, (C2H5)2O, acetone
Vapor pressure	0.051 Pa (11.09 °C); 0.267 Pa (25.12 °C); 2.08 Pa (45.05 °C) ; ln(P/Pa)=22.819-4493/T(K)-807000/T(K)²
Refractive index (nD)	1.4301 (20 °C); 1.4294 (24.5 °C)
Viscosity	23 cP (20 °C)
Thermochemistry
Heat capacity (C)	389 J/mol·K
Std molar; entropy (S⦵298)	458.3 J/mol·K
Std enthalpy of; formation (ΔfH⦵298)	−1330.8 kJ/mol
Std enthalpy of; combustion (ΔcH⦵298)	4211.6 kJ/mol
Hazards
NFPA 704 (fire diamond)	1 1 0
Flash point	138 °C (280 °F; 411 K)
Autoignition; temperature	430 °C (806 °F; 703 K)
Explosive limits	7.73%
	Lethal dose or concentration (LD, LC):
LD50 (median dose)	1100 mg/kg (mice, oral)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Triacetin is the organic compound with the formula C₃H₅(OCOCH₃)₃. It is classified as a triglyceride, i.e., the triester of glycerol with acetic acid.^[6] It is a colorless, viscous, and odorless liquid with a high boiling point and a low melting point. It has a mild, sweet taste in concentrations lower than 500 ppm, but may appear bitter at higher concentrations.^[7] It is one of the glycerine acetate compounds.

^ Merck Index (11th ed.). p. 9405.
^ ^a ^b ^c ^d ^e ^f Lide DR, ed. (2009). CRC Handbook of Chemistry and Physics (90th ed.). Boca Raton, Florida: CRC Press. ISBN 978-1-4200-9084-0.
^ ^a ^b ^c ^d ^e ^f ^g "MSDS of Triacetin". fishersci.ca. Fisher Scientific. Retrieved 2014-06-20.
^ ^a ^b Woodman AL, Adicoff A (1963). "Vapor Pressure of Tiracetin, Triethylene Glycol Dinitrate, and Metriol Trinitrate". Journal of Chemical & Engineering Data. 8 (2): 241–242. doi:10.1021/je60017a033.
^ ^a ^b ^c ^d Triacetin 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)
^ Kong P, Aroua MK, Daud WM, Lee HV, Cognet P, Pérès Y (2016). "Catalytic role of solid acid catalysts in glycerol acetylation for the production of bio-additives: a review". RSC Advances. 6 (73): 68885–68905. Bibcode:2016RSCAd...668885K. doi:10.1039/C6RA10686B. S2CID 102384754.
^ Arctander S (1969). Perfume and Flavor Chemicals (II K - Z). Elizabeth, N.J.: Published by the Author. p. 2971. ISBN 978-0-931710-37-7.

[1] Merck Index (11th ed.). p. 9405.

[crc-2] ^ ^a ^b ^c ^d ^e ^f Lide DR, ed. (2009). CRC Handbook of Chemistry and Physics (90th ed.). Boca Raton, Florida: CRC Press. ISBN 978-1-4200-9084-0.

[fca-3] ^ ^a ^b ^c ^d ^e ^f ^g "MSDS of Triacetin". fishersci.ca. Fisher Scientific. Retrieved 2014-06-20.

[acs-4] Woodman AL, Adicoff A (1963). "Vapor Pressure of Tiracetin, Triethylene Glycol Dinitrate, and Metriol Trinitrate". Journal of Chemical & Engineering Data. 8 (2): 241–242. doi:10.1021/je60017a033.

[nist-5] Triacetin 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)

[6] Kong P, Aroua MK, Daud WM, Lee HV, Cognet P, Pérès Y (2016). "Catalytic role of solid acid catalysts in glycerol acetylation for the production of bio-additives: a review". RSC Advances. 6 (73): 68885–68905. Bibcode:2016RSCAd...668885K. doi:10.1039/C6RA10686B. S2CID 102384754.

[7] Arctander S (1969). Perfume and Flavor Chemicals (II K - Z). Elizabeth, N.J.: Published by the Author. p. 2971. ISBN 978-0-931710-37-7.

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Names


Systematic IUPAC name Propane-1,2,3-triyl triacetate
Other names Glycerol triacetate^[2] glycerin triacetate 1,2,3-triacetylglycerol 1,2,3-triacetoxypropane
Identifiers
CAS Number	102-76-1^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:9661^N
ChEMBL	ChEMBL1489254^N
ChemSpider	13835706^Y
ECHA InfoCard	100.002.775
EC Number	203-051-9
E number	E1518 (additional chemicals)
KEGG	D00384^Y
PubChem CID	5541
RTECS number	AK3675000
UNII	XHX3C3X673^Y
CompTox Dashboard (EPA)	DTXSID3026691
InChI InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3^Y Key: URAYPUMNDPQOKB-UHFFFAOYSA-N^Y InChI=1/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3 Key: URAYPUMNDPQOKB-UHFFFAOYAH
SMILES CC(=O)OC(COC(=O)C)COC(C)=O
Properties
Chemical formula	C₉H₁₄O₆
Molar mass	218.205 g·mol⁻¹
Appearance	Oily liquid
Density	1.155 g/cm³^[3]
Melting point	−78 °C (−108 °F; 195 K) at 760 mmHg^[2]
Boiling point	259 °C (498 °F; 532 K) at 760 mmHg^[2]
Solubility in water	6.1 g/100 mL^[2]
Solubility	Miscible in EtOH Soluble in C₆H₆, (C₂H₅)2O, acetone^[2]
Vapor pressure	0.051 Pa (11.09 °C) 0.267 Pa (25.12 °C) 2.08 Pa (45.05 °C)^[4] ln(P/Pa)=22.819-4493/T(K)-807000/T(K)²
Refractive index (n_D)	1.4301 (20 °C)^[2] 1.4294 (24.5 °C)^[4]
Viscosity	23 cP (20 °C)^[3]
Thermochemistry
Heat capacity (C)	389 J/mol·K^[5]
Std molar entropy (S^⦵₂₉₈)	458.3 J/mol·K^[5]
Std enthalpy of formation (Δ_fH^⦵₂₉₈)	−1330.8 kJ/mol^[5]
Std enthalpy of combustion (Δ_cH^⦵₂₉₈)	4211.6 kJ/mol^[5]
Hazards
NFPA 704 (fire diamond)	^[3] 1 1 0
Flash point	138 °C (280 °F; 411 K)^[3]
Autoignition temperature	430 °C (806 °F; 703 K)^[3]
Explosive limits	7.73%^[3]
Lethal dose or concentration (LD, LC):
LD₅₀ (median dose)	1100 mg/kg (mice, oral)^[3]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references