Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
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% |
Conditions | Yield |
---|---|
With C16H25N3O2S Reflux; | 99% |
Conditions | Yield |
---|---|
With aluminum oxide at 25℃; for 1h; | 98% |
Conditions | Yield |
---|---|
With tetramethylammonium methyl carbonate for 15h; Molecular sieve; Reflux; Green chemistry; | 98% |
acetic anhydride
cis-5-hydroxyl-2-phenyl-1,3-dioxane
triacetylglycerol
Conditions | Yield |
---|---|
With erbium(III) triflate at 20℃; for 0.666667h; | 94% |
Conditions | Yield |
---|---|
With zeolite HY at 20℃; for 11h; | 85% |
Conditions | Yield |
---|---|
Multistep reaction.; | 60% |
1,2,3-tribromopropane
potassium acetate
A
1-acetoxy-2-bromo-2-propene
B
triacetylglycerol
Conditions | Yield |
---|---|
With acetic acid |
2-bromo-1,3-propanediol
silver(I) acetate
acetic acid
triacetylglycerol
Conditions | Yield |
---|---|
glycerol monobromohydrin of Fink; |
Conditions | Yield |
---|---|
With potassium acetate |
vinyl acetate
2-hydroxypropane-1,3-diyl diacetate
triethylamine
triacetylglycerol
Conditions | Yield |
---|---|
at 20℃; | |
at 20℃; |
Conditions | Yield |
---|---|
With sulfuric acid |
Conditions | Yield |
---|---|
With sulfuric acid unter Abdestillieren des entstehenden Acetons; |
Conditions | Yield |
---|---|
With hydrogenchloride; acetic acid at 100 - 110℃; |
Conditions | Yield |
---|---|
With pyridine 1.) hydrolysis; Multistep reaction; |
Allyl acetate
acetic acid
A
2-hydroxypropane-1,3-diyl diacetate
B
triacetylglycerol
Conditions | Yield |
---|---|
With oxygen at 182℃; under 22501.8 Torr; nitrogen atmospherte; | |
With oxygen under 22501.8 Torr; for 182h; Kinetics; nitrogen atmosphere, other temperature, other pressure; |
Conditions | Yield |
---|---|
With tellurium oxide; lithium bromide at 120℃; for 20h; | 11.7 mmol |
carbon monoxide
acetic acid
A
acetic acid methyl ester
B
ethylene glycol diacetate
C
triacetylglycerol
D
ethyl acetate
Conditions | Yield |
---|---|
With dodecacarbonyl-triangulo-triruthenium; hydrogen at 260℃; under 258400 Torr; for 2h; Rate constant; Product distribution; different reaction conditions; | A 139 mmol B 1.58 mmol C n/a D n/a |
acetyl chloride
glycerol
A
2-hydroxypropane-1,3-diyl diacetate
B
Glycerin-monoacetat
C
1,2,3-propanetriol 2-acetate
D
diacetin
E
triacetylglycerol
Conditions | Yield |
---|---|
With pyridine at 20℃; Product distribution; other acid chlorides; |
1,2,3-triacetoxy-2-pivaloylpropane
triacetylglycerol
Conditions | Yield |
---|---|
With 2-methylpropan-2-thiol In toluene at 25℃; deacylation; Photolysis; | 93 % Chromat. |
1,2,3-triacetoxy-2-pivaloylpropane
A
triacetylglycerol
Conditions | Yield |
---|---|
at 25℃; Disproportionation; deacylation; Photolysis; Title compound not separated from byproducts; | A 40 % Chromat. B n/a C n/a |
Conditions | Yield |
---|---|
at 100 - 110℃; |
Conditions | Yield |
---|---|
at 100℃; |
Conditions | Yield |
---|---|
With C16H25N3O2S at 23℃; for 24h; | 99% |
at 60℃; for 0.5h; | |
With 4Zn(2+)*O(2-)*3C14H8O4(2-)*4.2C2H8N2 In toluene at 50℃; for 3h; Activation energy; Catalytic behavior; Reagent/catalyst; Temperature; |
Conditions | Yield |
---|---|
With C16H25N3O2S In methanol at 23℃; for 24h; | 99% |
triacetylglycerol
1-Phenylethanol
A
(S)-1-phenylethanol
B
(R)-1-phenethyl acetate
Conditions | Yield |
---|---|
With Candida antarctica lipase B at 40℃; for 6h; Kinetics; Temperature; Resolution of racemate; Enzymatic reaction; enantioselective reaction; | A n/a B 98% |
Conditions | Yield |
---|---|
With scandium tris(trifluoromethanesulfonate) at 150℃; for 24h; Sealed tube; | 86% |
triacetylglycerol
methacrylic acid methyl ester
glyceryl tri(methyl)acrylate
Conditions | Yield |
---|---|
In cyclohexane | 82% |
With hydrogenchloride; lithium bromide In cyclohexane | |
With hydrogenchloride In cyclohexane |
Conditions | Yield |
---|---|
sodium methylate In ethylene glycol at 120 - 125℃; for 3h; Conversion of starting material; | 79% |
Conditions | Yield |
---|---|
With lipase B from Candida antarctica immobilized on octyl agarose In aq. phosphate buffer at 20℃; for 3h; pH=5.5; Enzymatic reaction; | 74% |
Conditions | Yield |
---|---|
With hafnium(IV) trifluoromethanesulfonate at 120℃; for 14h; Sealed tube; | 42% |
Conditions | Yield |
---|---|
With indium(III) triflate; iron(III) chloride; tris(triphenylphosphine)ruthenium(II) chloride; hydrogen; triphenylphosphine In acetic acid at 180℃; under 37503.8 Torr; for 12h; | 15% |
Conditions | Yield |
---|---|
With methanol at 55℃; for 3h; Kinetics; Reagent/catalyst; Time; | 13.6% |
With thorium dioxide at 460℃; |
diazomethane
methanol
triacetylglycerol
A
acetic acid methyl ester
B
glycerol
Conditions | Yield |
---|---|
With sodium methylate; xylene und Erwaermen des Reaktionsgemisches mit Glycerin; |
trielaidin
triacetylglycerol
2-hydroxy-3-[(9E)-9-octadecenoyloxy]propyl (9E)-9-octadecenoate
Conditions | Yield |
---|---|
With sodium methylate; xylene Erwaermen des Reaktionsgemisches mit Glycerin; |
Conditions | Yield |
---|---|
katalytische Umsetzung; |
Conditions | Yield |
---|---|
With sodium methylate; xylene anschliessendes Behandeln mit Glycerin bei 60grad; |
triacetylglycerol
glyceroltripalmitate
hexadecanoic acid, 2-hydroxy-1,3-propanediyl ester
Conditions | Yield |
---|---|
With sodium methylate; xylene und Behandeln des Reaktionsgemisches mit Glycerin; |
triacetylglycerol
β-1,2,3-tris(heptadecanoyl)glycerol
2-hydroxy-1,3-propanediyl heptadecanoate
Conditions | Yield |
---|---|
With sodium methylate; xylene Erwaermen des Reaktionsgemisches mit Glycerin; |
Conditions | Yield |
---|---|
With sodium methylate; xylene und Erwaermen des Reaktionsgemisches mit Glycerin; |
triacetylglycerol
1-hydroxyanthraquinone
6-hydroxy-7H-benzo[de]anthracen-7-one
Conditions | Yield |
---|---|
With sulfuric acid; aniline sulfate at 145℃; |
triacetylglycerol
2-chloroanthracene-9,10-dione
5-chloro-benz[de]anthracen-7-one
Conditions | Yield |
---|---|
With sulfuric acid; aniline sulfate at 140℃; |
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 (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.
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 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 ,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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