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77-90-7

Basic Information
CAS No.: 77-90-7
Name: Acetyl tributyl citrate
Article Data: 4
Cas Database
Molecular Structure:
Molecular Structure of 77-90-7 (Acetyl tributyl citrate)
Formula: C20H34O8
Molecular Weight: 402.485
Synonyms: 1,2,3-Propanetricarboxylicacid, 2-(acetyloxy)-, tributyl ester (9CI);Citric acid, tributyl ester, acetate(6CI,7CI,8CI);2-Acetoxy-1,2,3-propanetricarboxylic acid tributyl ester;ATBC;Acetyl butyl citrate;Acetylcitric acid tributylester;Blo-trol;Citroflex 4A-S;Citroflex A;Citrofol BII;Estaflex ATC;Monocizer ATBC;Morflex ATBC;1,2,3-Propanetricarboxylicacid, 2-(acetyloxy)-, 1,2,3-tributyl ester;Sansocizer ATBC;Tributyl O-acetylcitrate;Tributyl citrate acetate;Acetyl Tributyl Citrate(ATBC);
EINECS: 201-067-0
Density: 1.08 g/cm3
Melting Point: -59 ºC
Boiling Point: 418.2 ºC at 760 mmHg
Flash Point: 175.1 ºC
Solubility: insoluble in water(<0.1 g/100 mL )
Appearance: clear viscous liquid
Hazard Symbols: N/A
Risk Codes: N/A
Safety: 24/25
Transport Information: N/A
PSA: 105.20000
LogP: 3.09840
Synthetic route
108-05-4

vinyl acetate

77-94-1

Citroflex-4

77-90-7

acetyltributyl citrate

Conditions
ConditionsYield
With potassium tert-butylate; 1-ethyl-3-methylimidazolium tetrafluoroborate In tetrahydrofuran at 70℃; for 12h; Reagent/catalyst; Solvent; Time; Temperature; Concentration; Inert atmosphere;81%
77-94-1

Citroflex-4

108-24-7

acetic anhydride

77-90-7

acetyltributyl citrate

Conditions
ConditionsYield
dmap at 100℃; for 24h;93%
With 1-butyl-3-methylimidazolium 4-methylbenzenenesulfonate; 1-butyl-3-methylimidazolium Tetrafluoroborate at 50℃; for 8h;19%
at 70 - 80℃; Concentration;
77-94-1

Citroflex-4

64-19-7

acetic acid

77-90-7

acetyltributyl citrate

Conditions
ConditionsYield
[Mes2NH2](+)[O3SC6F5](-) In n-heptane at 115℃; for 48h;31%
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Specification

1. Introduction of Acetyl tributyl citrate
Acetyl Tributyl Citrate, is a plasticizer or carrier solvent permitted in the field of food additives, food contact material as well as for polymers specially for cellulosics. Acetyl tributyl citrate, its Synonyms are 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester; 2-(Acetyloxy)-1,2,3-propanetricarboxylic acid, tributyl ester; 2-Acetyltributylcitrate; Acetylcitric acid, tributyl ester; Tributyl 2-(acetyloxy)-1,2,3-propanetricarboxylate; Tributyl O-acetylcitrate; Tributyl acetyl citrate; Citric acid, tributyl ester, acetate (8CI). The IUPAC Name of it is Tributyl 2-acetyloxypropane-1,2,3-tricarboxylate. It is clear colorless liquid.

2. Properties of Acetyl tributyl citrate
Index of Refraction: 1.458
Molar Refractivity: 101.77 cm3 
Molar Volume: 372.6 cm
Polarizability: 40.34×10-24 cm
Surface Tension: 37.4 dyne/cm 
Density: 1.08 g/cm3 
Flash Point: 175.1 °C 
Enthalpy of Vaporization: 67.17 kJ/mol 
Boiling Point: 418.2 °C at 760 mmHg 
Melting Point: -59 °C
Water Solubility: <0.1 g/100 mL
FreezingPoint: -80 °C
Vapour Pressure of Acetyl tributyl citrate (CAS NO.77-90-7): 3.35E-07 mmHg at 25 °C

3. Structure Descriptors of Acetyl tributyl citrate
SMILES: C(CC(OCCCC)=O)(CC(OCCCC)=O)(C(OCCCC)=O)OC(C)=O
InChI: InChI=1/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3
Product Categories: Industrial / Fine Chemicals; Functional Materials; Hydroxycarboxylic Acid Esters (Plasticizer); Plasticizer; Amino ester

4. Toxicity of Acetyl tributyl citrate

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 4gm/kg (4000mg/kg)   Journal of Pharmaceutical Sciences. Vol. 53, Pg. 774, 1964.

5. Safety Information of Acetyl tributyl citrate
Safety Statements: 24/25 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS of Acetyl tributyl citrate (CAS NO.77-90-7): TZ8330000

6. Use of Acetyl tributyl citrate
Acetyl tributyl citrate is innocuous plasticizer, mainly used as plasticizer of PVC, cellulose resin and synthetic rubber, used in innocuous PVC grain, Produce food packaging material, medical products, prepare flavor, essence, soft toys for children and produce cosmetics etc. Also used as stabilizer of polyvinylidene chloride etc.