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| CAS No.: | 102-76-1 |
|---|---|
| Name: | Triacetin |
| Article Data: | 140 |
| Molecular Structure: | |
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|
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| 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 |
| Safety: | 23-24/25 |
| PSA: | 78.90000 |
| LogP: | 0.04430 |
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- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
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| 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% |
- 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 | 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% |
- 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 | Yield |
|---|---|
| With acetic acid |
- 67-73-2Fluocinolone acetonide
- 109-09-12-Chloropyridine
- 154-17-62-Deoxy-D-glucose
- 123-54-62,4-Pentanedione
- 99-96-74-Hydroxybenzoic acid
- 100-44-7Benzyl chloride
- 366-18-72,2'-Dipyridyl
- 5104-49-4[1,1'-Biphenyl]-4-aceticacid, 2-fluoro-a-methyl-
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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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 .