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Cas Database

Name	Triethyl acetyl citrate	EINECS	201-066-5
CAS No.	77-89-4	Density	1.163 g/cm³
PSA	105.20000	LogP	0.75780
Solubility	N/A	Melting Point	-42 °C
Formula	C₁₄H₂₂O₈	Boiling Point	327.2 °C at 760 mmHg
Molecular Weight	318.324	Flash Point	136.9 °C
Transport Information	N/A	Appearance	colorless or light yellow liquid
Safety	23-24/25	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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;	Article Data	6

Triethyl acetyl citrate Synthetic route

: 77-93-0
citric acid triethyl ester

: 108-24-7
acetic anhydride

: 77-89-4
triethyl O-acetylcitrate

Conditions

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;

: 77-93-0
citric acid triethyl ester

: 75-36-5
acetyl chloride

: 77-89-4
triethyl O-acetylcitrate

: 77-89-4
triethyl O-acetylcitrate

: 5349-99-5
Diethyl-3-(ethoxycarbonyl)pent-2-endioat

Conditions

Conditions	Yield
at 275℃; for 1.5h;	89%
at 270℃; under 760.051 Torr; for 0.4h;	74%
at 250 - 280℃;

: 77-89-4
triethyl O-acetylcitrate

: 499-12-7
1 propene 1,2,3 tricarboxylic acid

Conditions

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

Conditions	Yield
With ammonium hydroxide

: 77-89-4
triethyl O-acetylcitrate

A: 64-19-7
acetic acid

B aconitic acid triethyl ester: aconitic acid triethyl ester

Conditions

Conditions	Yield
at 250 - 280℃;

: 77-89-4
triethyl O-acetylcitrate

: ammonium hydroxide

citrazinamide: citrazinamide

: 77-89-4
triethyl O-acetylcitrate

: 101967-99-1
Diethyl-2-oxo-2H-pyran-4,5-dicarboxylat

Conditions

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

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

E: 1,2,3-tris(propylcarbamoyl)propyl-2-yl acetate

Conditions

Conditions	Yield
In methanol at 20℃;

...Expand

Triethyl acetyl citrate Chemical Properties

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

Triethyl acetyl citrate 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.

Triethyl acetyl citrate Consensus Reports

Reported in EPA TSCA Inventory.

Triethyl acetyl citrate 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

Triethyl acetyl citrate 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 .

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