CAS 77-90-7 Tributyl O-Acetylcitrate - Materials / Alfa Chemistry

NAVIGATION

Tributyl O-Acetylcitrate

PRICE INQUIRY

Catalog Number

ACM77907-1

CAS Number

77-90-7

Product Name

Tributyl O-Acetylcitrate

Structure

Category

Plastic Additives; Plasticizers

Description

DryPowder; Liquid;Liquid;Liquid;colourless, slightly viscous liquid with very faint sweet herbaceous odour

IUPAC Name

tributyl 2-acetyloxypropane-1,2,3-tricarboxylate

Molecular Weight

402.5g/mol

Molecular Formula

C20H34O8

Canonical SMILES

CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C

InChI

InChI=1S/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

InChI Key

QZCLKYGREBVARF-UHFFFAOYSA-N

Boiling Point

331 °C at 732 mm Hg

Melting Point

-80.0 °C;-80 °C;-80 °C;-80°C

Flash Point

113 °C - closed cup

Density

1.046 at 25 °C;1.045-1.055

Solubility

1.24e-05 M;0.005 mg/mL;In water, 5 mg/L, temp not specified;In water, 4.49 mg/L at 20 °C;In water, 1.7 mg/L at 25 °C;Soluble in organic solvents;0.005 mg/mL;insoluble in water; soulble in alcohol; miscible in oil

Application

Tributyl O-Acetylcitrate serves as a versatile and effective plasticizer in the pharmaceutical industry. It is primarily used to enhance the flexibility and durability of polymer coatings applied to capsules, tablets, beads, and granules. These coatings are essential for various pharmaceutical applications, including taste masking and creating immediate release, sustained-release, and enteric formulations. With its ability to dissolve in organic solvents and its compatibility with alcohol and oils, Tributyl O-Acetylcitrate plays a crucial role in ensuring the stability and performance of pharmaceutical products.

Color/Form

Colorless liquid

Complexity

476

Covalently-Bonded Unit Count

EC Number

201-067-0

Exact Mass

402.225368g/mol

Formal Charge

Heavy Atom Count

Log P

log Kow = 4.92

MeSH Entry Terms

2-acetyltributylcitrate;acetyl tributyl citrate;acetyltributylcitrate;ATBC plasticizer

Monoisotopic Mass

402.225368g/mol

NSC Number

3894

Odor

Very faint sweet, herbaceous odor;Odorless

Other Experimental

VP: 1 mm Hg at 173 °C;Distillation range: 172-174 °C (1 mm Hg); bulk density= 8.74 lb/gal (25 °C); combustible;When heated to decomposition it emits acrid smoke and irritating fumes.;Boiling Point: 326 °C (purity not stated);Henry's Law constant = 3.8X10-10 atm-cu m/mole at 25 °C /Estimated/;Hydroxyl radical reaction rate constant = 1.4X10-11 cu cm/molec-sec at 25 °C /Estimated/

Refractive Index

Index of refraction= 1.4408 at 25 °C;1.440-1.445

Rotatable Bond Count

Stability

Stable under recommended storage conditions.

UNII

0ZBX0N59RZ

Vapor Density

14.1 (Air = 1; 20 °C)

Vapor Pressure

3.0X10-4 mm Hg at 25 °C (est)

Viscosity