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Triacetin

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Triacetin

EINECS 203-051-9
CAS No. 102-76-1 Density 1.16 g/mL at 25 °C(lit.)
Solubility 64.0 g/L (20 °C) in water Melting Point 3 °C(lit.)
Formula C9H14O6 Boiling Point 258 °C at 760 mmHg
Molecular Weight 218.23 Flash Point 93.9 °C
Transport Information Appearance colourless liquid with a bitter taste
Safety 23-24/25 Risk Codes
Molecular Structure Molecular Structure of 102-76-1 (Triacetin) Hazard Symbols
Synonyms

Triacetine;Triacetylglycerin;Triacetylglycerol;Ujostabil;Vanay;Triacetin(Food grade);Glycerol triacetate;1,2,3-Propanetriol,triacetate (9CI);Acetin, tri- (6CI,8CI);1,2,3-Triacetoxypropane;DRA 150;Edenor GTA;Enzactin;Estol 1581;Fungacetin;Glycerin triacetate;Glyceroltriacetate;Glyceryl triacetate;Glyped;Kesscoflex TRA;NSC 4796;Priacetin1580;Priacetin 1581;

 

Triacetin Chemical Properties

Product Name: Triacetin (CAS NO.102-76-1)


Molecular Formula: C9H14O6
Molecular Weight: 218.2g/mol
Mol File: 102-76-1.mol
Einecs: 3-051-9
Melting Point: 3 °C(lit.)
Boiling point: 258 °C at 760 mmHg
Flash Point: 93.9 °C
Density: 1.16 g/mL at 25 °C(lit.)
Refractive index: n25/D 1.429-1.431(lit.)
Water Solubility: 64.0 g/L (20 ºC)
Stability: Stable. Incompatible with strong oxidizing agents. Combustible.
Surface Tension: 36.4 dyne/cm
Enthalpy of Vaporization: 49.56 kJ/mol
Vapour Pressure: 0.0141 mmHg at 25°C
XLogP3-AA: 0.2
H-Bond Donor: 0
H-Bond Acceptor: 6
Structure Descriptors of Triacetin (CAS NO.102-76-1):
  IUPAC Name: 1,3-diacetyloxypropan-2-yl acetate
  Canonical SMILES: CC(=O)OCC(COC(=O)C)OC(=O)C
  InChI: InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3 
  InChIKey: URAYPUMNDPQOKB-UHFFFAOYSA-N
Product Categories: Functional Materials; Plasticizer; Polyalcohol Ethers, Esters (Plasticizer)

Triacetin Uses

 Triacetin (CAS NO.102-76-1) is an artificial chemical compound, commonly used as a food additive, for instance as a solvent in flavourings, and for its humectant function, with E number E1518 and Australian approval code A1518. Triacetin is also a component of casting liquor with TG and as an excipient in pharmaceutical products where it is used as a humectant, a plasticizer, and as a solvent.
Triacetin can also be used as a fuel additive as an antiknock agent which can reduce engine knocking in gasoline, and to improve cold and viscosity properties of biodiesel.

Triacetin Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 1500mg/kg (1500mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 879, 1978.
frog LDLo oral 150mg/kg (150mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 879, 1978.
guinea pig LDLo intramuscular 1740mg/kg (1740mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 189, 1942.
mouse LD50 intraperitoneal 1400mg/kg (1400mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: STIFFNESS
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 22, Pg. 368, 1963.
mouse LD50 intravenous 1600mg/kg (1600mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Acta Physiologica Scandinavica. Vol. 40, Pg. 338, 1957.
mouse LD50 oral 1100mg/kg (1100mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: STIFFNESS
Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 22, Pg. 368, 1963.
mouse LD50 subcutaneous 2300mg/kg (2300mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Proceedings of the Society for Experimental Biology and Medicine. Vol. 46, Pg. 26, 1941.
rabbit LD50 intravenous 750mg/kg (750mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 879, 1978.
rat LD50 intraperitoneal 2100mg/kg (2100mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 879, 1978.
rat LD50 oral 3gm/kg (3000mg/kg)   AMA Archives of Industrial Health. Vol. 21, Pg. 28, 1960.
rat LD50 subcutaneous 2800mg/kg (2800mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Proceedings of the Society for Experimental Biology and Medicine. Vol. 46, Pg. 26, 1941.

Triacetin Safety Profile

Safety Information of Triacetin (CAS NO.102-76-1):
Safety Statements: 23-24/25
23:  Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) 
24:  Avoid contact with skin 
25:  Avoid contact with eyes 

Triacetin Specification

 Triacetin ,its CAS NO. is 102-76-1,the synonyms is 1,2,3-Propanetriol triacetate ; 1,2,3-Propanetriyl triacetate ; 4-02-00-00253 (Beilstein Handbook Reference) ; AI3-00661 ; Acetin, tri- ; BRN 1792353 ; EINECS 203-051-9 ; Enzactin ; FEMA Number 2007 ; Fungacetin ; Glyceryl triacetate ; Glyped ; HSDB 585 ; Kesscoflex TRA ; Kodaflex triacetin ; NSC 4796 ; Triacetyl glycerine ; UNII-XHX3C3X673 ; Vanay .

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