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102-76-1

Basic Information
CAS No.: 102-76-1
Name: Triacetin
Article Data: 140
Cas Database
Molecular Structure:
Molecular Structure of 102-76-1 (Triacetin)
Formula: C9H14O6
Molecular Weight: 218.207
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;
EINECS: 203-051-9
Density: 1.16 g/mL at 25 °C(lit.)
Melting Point: 3 °C(lit.)
Boiling Point: 258 °C at 760 mmHg
Flash Point: 93.9 °C
Solubility: 64.0 g/L (20 °C) in water
Appearance: colourless liquid with a bitter taste
Hazard Symbols: N/A
Risk Codes: N/A
Safety: 23-24/25
Transport Information: N/A
PSA: 78.90000
LogP: 0.04430
Synthetic route
64-19-7

acetic acid

56-81-5

glycerol

102-76-1

triacetylglycerol

Conditions
ConditionsYield
at 150℃; for 0.5h;99.5%
zirconium(IV) oxide at 200℃; for 2h; in autoclave;96%
With sulfonated charcoal In benzene for 7h; Heating;94%
108-24-7

acetic anhydride

56-81-5

glycerol

102-76-1

triacetylglycerol

Conditions
ConditionsYield
yttria-stabilized zirconia In acetonitrile for 8h; Heating;99%
With sodium hydroxide for 0.0166667h; microwave irradiation;99%
With SiO2-supported Co(II) Salen complex catalyst at 50℃; for 0.916667h;99%
141-78-6

ethyl acetate

56-81-5

glycerol

102-76-1

triacetylglycerol

Conditions
ConditionsYield
With C16H25N3O2S Reflux;99%
75-36-5

acetyl chloride

56-81-5

glycerol

102-76-1

triacetylglycerol

Conditions
ConditionsYield
With aluminum oxide at 25℃; for 1h;98%
79-20-9

acetic acid methyl ester

56-81-5

glycerol

102-76-1

triacetylglycerol

Conditions
ConditionsYield
With tetramethylammonium methyl carbonate for 15h; Molecular sieve; Reflux; Green chemistry;98%
108-24-7

acetic anhydride

1708-40-3, 4141-19-9, 4141-20-2

cis-5-hydroxyl-2-phenyl-1,3-dioxane

102-76-1

triacetylglycerol

Conditions
ConditionsYield
With erbium(III) triflate at 20℃; for 0.666667h;94%
556-52-5

oxiranyl-methanol

108-24-7

acetic anhydride

102-76-1

triacetylglycerol

Conditions
ConditionsYield
With zeolite HY at 20℃; for 11h;85%
108-24-7

acetic anhydride

107-19-7

propargyl alcohol

102-76-1

triacetylglycerol

Conditions
ConditionsYield
Multistep reaction.;60%
96-11-7

1,2,3-tribromopropane

127-08-2

potassium acetate

A

63915-88-8

1-acetoxy-2-bromo-2-propene

B

102-76-1

triacetylglycerol

Conditions
ConditionsYield
With acetic acid
96-11-7

1,2,3-tribromopropane

563-63-3

silver(I) acetate

102-76-1

triacetylglycerol

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    Triacetin Basic information Product Name: Triacetin Synonyms: 1,2,3-propanedioltriacetate;1,2,3-propanedioltriethanoate;2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate;Acetin, tri-;Enza

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    Triacetin 102-76-1

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Chemistry

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)

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.

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.

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 

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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