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| CAS No.: | 77-89-4 |
|---|---|
| Name: | Triethyl acetyl citrate |
| Molecular Structure: | |
|
|
|
| Formula: | C14H22O8 |
| Molecular Weight: | 318.324 |
| Synonyms: | 1,2,3-Propanetricarboxylicacid, 2-(acetyloxy)-, triethyl ester (9CI);Citric acid, triethyl ester,acetate (6CI,7CI,8CI);ATEC;Acetyl triethyl citrate;Citroflex A 2;CitrofolAII;Morflex ATEC;NSC 3887;Triethyl 2-acetoxy-1,2,3-propanetricarboxylate;Triethyl acetylcitrate; |
| EINECS: | 201-066-5 |
| Density: | 1.163 g/cm3 |
| Melting Point: | -42 °C |
| Boiling Point: | 327.2 °C at 760 mmHg |
| Flash Point: | 136.9 °C |
| Appearance: | colorless or light yellow liquid |
| Safety: | 23-24/25 |
| PSA: | 105.20000 |
| LogP: | 0.75780 |
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| Conditions | Yield |
|---|---|
| With 4-(dimethylamino)pyridine hydrochloride at 110℃; for 8h; | 90% |
| sulfuric acid at 80℃; for 3h; | 88% |
| With H-type zeolite catalyst at 60 - 120℃; under 760.051 Torr; for 2.83333h; Reagent/catalyst; Sealed tube; Inert atmosphere; | |
| unter kontinuierlicher Entfernung der entstehenden Essigsaeure; |
| Conditions | Yield |
|---|---|
| at 275℃; for 1.5h; | 89% |
| at 270℃; under 760.051 Torr; for 0.4h; | 74% |
| at 250 - 280℃; |
| Conditions | Yield |
|---|---|
| at 250 - 280℃; ueberdestilliert die Essigsaeure, dann verseift man mit konz.Salzsaeure und destilliert diese unter vermindertem Druck ab; |
- 77-89-4
triethyl O-acetylcitrate
- 14533-64-3
2,6-dihydroxy-isonicotinic acid amide
| Conditions | Yield |
|---|---|
| With ammonium hydroxide |
| Conditions | Yield |
|---|---|
| at 250 - 280℃; |
- 77-89-4
triethyl O-acetylcitrate
- 101967-99-1
Diethyl-2-oxo-2H-pyran-4,5-dicarboxylat
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 89 percent / 1.5 h / 275 °C 2: 45 percent / TiCl4, 4-Methylmorpholine / tetrahydrofuran; CCl4 / 20 h / Ambient temperature 3: HCOOH / 1 h / 95 °C View Scheme | |
| Multi-step reaction with 3 steps 1.1: 0.4 h / 270 °C / 760.05 Torr 2.1: titanium tetrachloride / tetrachloromethane; tetrahydrofuran / 0.5 h / 0 °C 2.2: 20 h / 0 - 20 °C 3.1: formic acid / 1 h / 100 °C View Scheme |
- 77-89-4
triethyl O-acetylcitrate
- 129256-95-7
Diethyl-3-(ethoxycarbonyl)-4-(ethoxymethylen)pent-2-endioat
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 89 percent / 1.5 h / 275 °C 2: 45 percent / TiCl4, 4-Methylmorpholine / tetrahydrofuran; CCl4 / 20 h / Ambient temperature View Scheme |
- 107-10-8
propylamine
- 77-89-4
triethyl O-acetylcitrate
A
- 5331-48-6
n-propylacetamide
B
- 1242516-61-5
(Z)-3-acetyl-5-oxo-N-propylhex-2-enamide
C
- 1242516-60-4
(Z)-3-((propylcarbamoyl)-methylene)-4-oxopentanoic acid
D
- 1242516-62-6
(Z)-3,4-bis(propylcarbamoyl)but-3-enoic acid
| Conditions | Yield |
|---|---|
| In methanol at 20℃; |
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Chemistry
Product Name: Acetyl triethyl citrate (CAS NO.77-89-4)
IUPAC: Triethyl 2-acetyloxypropane-1,2,3-tricarboxylate
Molecular Formula: C14H22O8
Molecular Weight: 318.32g/mol
Mol File: 77-89-4.mol
EINECS: 201-066-5
Melting Point: -42°C
Boiling point: 228-229 °C at 100 mm Hg(lit.)
Flash Point: 136.9 °C
Density: 1.136 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.439(lit.)
Surface Tension: 38.8 dyne/cm
Enthalpy of Vaporization: 56.95 kJ/mol
Vapour Pressure: 0.000205 mmHg at 25°C
XLogP3-AA: 0.6
H-Bond Donor: 0
H-Bond Acceptor: 8
Product Categories: Hydroxycarboxylic Acid Esters (Plasticizer); Functional Materials; Plasticizer
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | oral | 8510mg/kg (8510mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Toxicology and Applied Pharmacology. Vol. 1, Pg. 283, 1959. |
| mouse | LD50 | intraperitoneal | 1150mg/kg (1150mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) VASCULAR: OTHER CHANGES | Journal of Pharmaceutical Sciences. Vol. 53, Pg. 774, 1964. |
| rat | LD50 | oral | 7gm/kg (7000mg/kg) | International Polymer Science and Technology. Vol. 3, Pg. 93, 1976. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. See also ESTERS. When heated to decomposition it emits acrid smoke and fumes.
Safety Information of Acetyl triethyl citrate (CAS NO.77-89-4):
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
WGK Germany: 1
RTECS: GE8225000
Specification
Acetyl triethyl citrate ,its CAS NO. is 77-89-4, the synonyms are 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester ; 2-(Acetyloxy)-1,2,3-propanetricarboxylic acid, triethyl ester ; 3-03-00-01105 (Beilstein Handbook Reference) ; AI3-03574 ; ATEC ; BRN 1804947 ; Citric acid, acetyl triethyl ester ; Citroflex A 2 ; EINECS 201-066-5 ; NSC 3887 ; Tricarballylic acid, beta-acetoxytributyl ester ; Triethyl 2-acetoxy-1,2,3-propanetricarboxylate ; Triethyl acetylcitrate ; Triethyl citrate, acetate ; Triethylester kyseliny acetylcitronove ; UNII-5WBR36T90E .