butyryltri-n-hexylcitrate

Product Information

Molecular Formula:
C28H50O8
Molecular Weight:
514.7
Description
Butyryltri-n-hexylcitrate is a biomedical product used in the drug development of skin disorders and diseases. It acts as a plasticizer and is commonly found in topical pharmaceutical preparations, such as creams and ointments. It helps to improve the application, spreadability, and absorption of drugs, enhancing their effectiveness in treating skin conditions.
Synonyms
Butyrylcitric Acid Trihexyl Ester||||Trihexyl 2-(Butyryloxy)propane-1,2,3-tricarboxylate||||2-(Butyryloxy)propane-1,2,3-tricarboxylic Acid Trihexyl Ester||||Butyryl Trihexyl Citrate
IUPAC Name
trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate
Canonical SMILES
CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(C(=O)OCCCCCC)OC(=O)CCC
InChI
InChI=1S/C28H50O8/c1-5-9-12-15-19-33-25(30)22-28(36-24(29)18-8-4,27(32)35-21-17-14-11-7-3)23-26(31)34-20-16-13-10-6-2/h5-23H2,1-4H3
InChI Key
GWVUTNGDMGTPFE-UHFFFAOYSA-N
Boiling Point
247 °C
Melting Point
-55°C(lit.)
Flash Point
234 °C
Purity
>92.0%(GC)
Density
1.00
Appearance
Colorless to Light yellow clear liquid
Refractive Index
n20/D 1.448(lit.)

Safety Information

Hazards
H410:
Very toxic to aquatic life with long-lasting effects.
Precautionary Statement
P273:
Avoid release to the environment.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
7.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
27
Exact Mass
514.35056855 g/mol
Monoisotopic Mass
514.35056855 g/mol
Topological Polar Surface Area
105Ų
Heavy Atom Count
36
Formal Charge
0
Complexity
589
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2022056326-A1 Anticoagulant compounds, methods and devices for ophthalmic use 2020-09-11
WO-2022047394-A1 3d printed composites from phase separated materials 2020-08-31
WO-2022029040-A1 Device for welding a pouch 2020-08-03
WO-2022031758-A1 Anticoagulant compounds and methods and devices for their pulmonary use 2020-08-03
WO-2021260211-A1 Targeted release rifaximin compositions 2020-06-26
US-2021386759-A1 Compositions and methods for post-operative ocular care 2020-06-10
WO-2021252054-A1 Compositions and uses in method for post-operative ocular care 2020-06-10
US-2022039976-A1 Anticoagulant compounds and methods and devices for their use 2020-05-26
WO-2021242783-A1 Anticoagulant compounds and methods and devices for their use 2020-05-26
WO-2021231650-A2 Dehp-free blood storage and methods of use thereof 2020-05-13

Literatures

PMID Publication Date Title Journal
22867706 2012-09-01 Twelve-month results of a paclitaxel releasing balloon in patients presenting with in-stent restenosis First-in-Man (PEPPER) trial Cardiovascular revascularization medicine : including molecular interventions
21981439 2012-04-01 Volume-reduced platelet concentrates: optimization of production and storage conditions Transfusion
21986331 2011-10-30 Vascular effects of paclitaxel following drug-eluting balloon angioplasty in a porcine coronary model: the importance of excipients EuroIntervention : journal of EuroPCR in collaboration with the Working Group on Interventional Cardiology of the European Society of Cardiology
21572709 2011-01-01 Hexamoll DINCH plasticised PVC containers for the storage of platelets Asian journal of transfusion science
18783581 2008-08-01 Platelet storage in Fresenius/NPBI polyolefin and BTHC-PVC bags: a direct comparison Transfusion medicine (Oxford, England)
15348529 2003-10-01 Blood response to plasticized poly(vinyl chloride): dependence of fibrinogen adsorption on plasticizer selection and surface plasticizer level Journal of materials science. Materials in medicine
12375654 2002-07-01 Biochemical and structural changes in RBCs stored with different plasticizers: the role of hexanol Transfusion
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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