Acetyltributyl citrate

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 591802

CAS#: 77-90-7

Description: Acetyltributyl citrate is a plasticizer.


Chemical Structure

img
Acetyltributyl citrate
CAS# 77-90-7

Theoretical Analysis

MedKoo Cat#: 591802
Name: Acetyltributyl citrate
CAS#: 77-90-7
Chemical Formula: C20H34O8
Exact Mass: 402.23
Molecular Weight: 402.480
Elemental Analysis: C, 59.68; H, 8.52; O, 31.80

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: Acetyltributyl citrate

IUPAC/Chemical Name: 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, tributyl ester

InChi Key: QZCLKYGREBVARF-UHFFFAOYSA-N

InChi Code: 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

SMILES Code: O=C(CC(C(OCCCC)=O)(OC(C)=O)CC(OCCCC)=O)OCCCC

Appearance: Liquid

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.03.00

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 402.48 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

1: Alves A, Giovanoulis G, Nilsson U, Erratico C, Lucattini L, Haug LS, Jacobs G, de Wit CA, Leonards PE, Covaci A, Magner J, Voorspoels S. Case Study on Screening Emerging Pollutants in Urine and Nails. Environ Sci Technol. 2017 Apr 4;51(7):4046-4053. doi: 10.1021/acs.est.6b05661. Epub 2017 Mar 22. PubMed PMID: 28293951.

2: Johari AP, Kurmvanshi SK, Mohanty S, Nayak SK. Influence of surface modified cellulose microfibrils on the improved mechanical properties of poly (lactic acid). Int J Biol Macromol. 2016 Mar;84:329-39. doi: 10.1016/j.ijbiomac.2015.12.038. Epub 2015 Dec 17. PubMed PMID: 26708431.

3: Do MP, Neut C, Metz H, Delcourt E, Siepmann J, Mäder K, Siepmann F. Mechanistic analysis of PLGA/HPMC-based in-situ forming implants for periodontitis treatment. Eur J Pharm Biopharm. 2015 Aug;94:273-83. doi: 10.1016/j.ejpb.2015.05.018. Epub 2015 Jun 3. PubMed PMID: 26047797.

4: Do MP, Neut C, Delcourt E, Seixas Certo T, Siepmann J, Siepmann F. In situ forming implants for periodontitis treatment with improved adhesive properties. Eur J Pharm Biopharm. 2014 Oct;88(2):342-50. doi: 10.1016/j.ejpb.2014.05.006. Epub 2014 May 14. PubMed PMID: 24833006.

5: Nickles K, Ratka-Krüger P, Neukranz E, Raetzke P, Eickholz P. Open flap debridement and guided tissue regeneration after 10 years in infrabony defects. J Clin Periodontol. 2009 Nov;36(11):976-83. doi: 10.1111/j.1600-051X.2009.01474.x. Epub 2009 Oct 6. PubMed PMID: 19807821.

6: Schilling SU, Shah NH, Waseem Malick A, McGinity JW. Properties of melt extruded enteric matrix pellets. Eur J Pharm Biopharm. 2010 Feb;74(2):352-61. doi: 10.1016/j.ejpb.2009.09.008. Epub 2009 Sep 24. PubMed PMID: 19782133.

7: Pretzl B, Kim TS, Steinbrenner H, Dörfer C, Himmer K, Eickholz P. Guided tissue regeneration with bioabsorbable barriers III 10-year results in infrabony defects. J Clin Periodontol. 2009 Apr;36(4):349-56. doi: 10.1111/j.1600-051X.2009.01378.x. Epub 2008 Mar 11. PubMed PMID: 19426182.

8: Thumma S, ElSohly MA, Zhang SQ, Gul W, Repka MA. Influence of plasticizers on the stability and release of a prodrug of Delta(9)-tetrahydrocannabinol incorporated in poly (ethylene oxide) matrices. Eur J Pharm Biopharm. 2008 Oct;70(2):605-14. doi: 10.1016/j.ejpb.2008.06.009. Epub 2008 Jun 18. PubMed PMID: 18602993; PubMed Central PMCID: PMC2628598.

9: Goulas AE, Zygoura P, Karatapanis A, Georgantelis D, Kontominas MG. Migration of di(2-ethylhexyl) adipate and acetyltributyl citrate plasticizers from food-grade PVC film into sweetened sesame paste (halawa tehineh): kinetic and penetration study. Food Chem Toxicol. 2007 Apr;45(4):585-91. Epub 2006 Oct 20. PubMed PMID: 17141933.

10: Zini E, Baiardo M, Armelao L, Scandola M. Biodegradable polyesters reinforced with surface-modified vegetable fibers. Macromol Biosci. 2004 Mar 15;4(3):286-95. PubMed PMID: 15468219.

11: Lin WJ, Lee HK, Wang DM. The influence of plasticizers on the release of theophylline from microporous-controlled tablets. J Control Release. 2004 Oct 19;99(3):415-21. PubMed PMID: 15451599.

12: Eickholz P, Krigar DM, Pretzl B, Steinbrenner H, Dörfer C, Kim TS. Guided tissue regeneration with bioabsorbable barriers. II. Long-term results in infrabony defects. J Periodontol. 2004 Jul;75(7):957-65. PubMed PMID: 15341353.

13: Kim TS, Knittel M, Dörfer C, Steinbrenner H, Holle R, Eickholz P. Comparison of two types of synthetic biodegradable barriers for GTR in interproximal infrabony defects: clinical and radiographic 24-month results. Int J Periodontics Restorative Dent. 2003 Oct;23(5):481-9. PubMed PMID: 14620122.

14: Wesseling M, Bodmeier R. Influence of plasticization time, curing conditions, storage time, and core properties on the drug release from Aquacoat-coated pellets. Pharm Dev Technol. 2001 Aug;6(3):325-31. PubMed PMID: 11485174.

15: Ainaoui A, Siepmann J, Bodmeier R, Vergnaud JM. Calculation of the dimensions of dosage forms with release controlled by diffusion for in vivo use. Eur J Pharm Biopharm. 2001 Jan;51(1):17-24. PubMed PMID: 11154899.

16: Kranz H, Ubrich N, Maincent P, Bodmeier R. Physicomechanical properties of biodegradable poly(D,L-lactide) and poly(D,L-lactide-co-glycolide) films in the dry and wet states. J Pharm Sci. 2000 Dec;89(12):1558-66. PubMed PMID: 11042603.

17: Repka MA, McGinity JW. Influence of vitamin E TPGS on the properties of hydrophilic films produced by hot-melt extrusion. Int J Pharm. 2000 Jul 20;202(1-2):63-70. PubMed PMID: 10915927.

18: Eickholz P, Kim TS, Steinbrenner H, Dörfer C, Holle R. Guided tissue regeneration with bioabsorbable barriers: intrabony defects and class II furcations. J Periodontol. 2000 Jun;71(6):999-1008. PubMed PMID: 10914804.

19: Dörfer CE, Kim TS, Steinbrenner H, Holle R, Eickholz P. Regenerative periodontal surgery in interproximal intrabony defects with biodegradable barriers. J Clin Periodontol. 2000 Mar;27(3):162-8. PubMed PMID: 10743862.

20: Krögel I, Bodmeier R. Floating or pulsatile drug delivery systems based on coated effervescent cores. Int J Pharm. 1999 Oct 5;187(2):175-84. PubMed PMID: 10502623.