Trihexyl 2-(butyryloxy)-1,2,3-propanetricarboxylate

Basic Information

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CAS Number

82469-79-2

Molecular Formula

C28H50O8

Molecular Weight

514.7 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

−55 °C

Boiling Point

520.24°C (rough estimate)

Density

0.993

Flash Point

113 °C

Refractive Index

n20/D 1.448(lit.)

SMILES

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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

InChIKey

GWVUTNGDMGTPFE-UHFFFAOYSA-N

LogP

6.219200000000008

Topological Polar Surface Area

105.20000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

589

Synonyms & References

English

trihexyl O-butyrylcitrate
BTHC
trihexyl 2-butanoyloxypropane-1,2,3-tricarboxylate
Citroflex? B-6
N-BUTYRYL TRI-N-HEXYL CITRATE
1,2,3-Propanetricarboxylicacid, 2-(1-oxobutoxy)-, trihexyl ester (9CI)
Butyryl tri-n-hexyl citrate
Citroflex B 6
Trihexyl butyrylcitrate
Trihexyl citrate butyrate

MDL Number

MFCD00192535

FAQ

What is Trihexyl 2-(butyryloxy)-1,2,3-propanetricarboxylate (CAS: 82469-79-2)?

Trihexyl 2-(butyryloxy)-1,2,3-propanetricarboxylate (CAS: 82469-79-2) is a complex ester compound. It is a colorless to light yellow liquid with a pungent odor. It is primarily used as a surfactant and emulsifier in various applications.

What are the main uses of Trihexyl 2-(butyryloxy)-1,2,3-propanetricarboxylate (CAS: 82469-79-2)?

Trihexyl 2-(butyryloxy)-1,2,3-propanetricarboxylate (CAS: 82469-79-2) is widely used in the pharmaceutical industry as a surfactant, in the food industry as an emulsifier, and in research for stabilizing oil-in-water emulsions.

Is Trihexyl 2-(butyryloxy)-1,2,3-propanetricarboxylate (CAS: 82469-79-2) safe?

Trihexyl 2-(butyryloxy)-1,2,3-propanetricarboxylate (CAS: 82469-79-2) is generally considered safe for its intended uses. However, it is important to follow all safety guidelines, including wearing protective gloves and goggles, and avoiding contact with skin and eyes. It should also be stored in a cool, dry place away from direct sunlight.

How should Trihexyl 2-(butyryloxy)-1,2,3-propanetricarboxylate (CAS: 82469-79-2) be stored?

Trihexyl 2-(butyryloxy)-1,2,3-propanetricarboxylate (CAS: 82469-79-2) should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation. Proper ventilation is recommended during handling and storage to avoid inhalation of fumes.