Triethyl 2-acetoxy-1,2,3-propanetricarboxylate

Basic Information

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CAS Number

77-89-4

Molecular Formula

C14H22O8

Molecular Weight

318.32 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

Basic Physical Properties

Melting Point

-42°C

Boiling Point

228-229 °C/100 mmHg

Density

1.136 g/mL at 25 °C

Refractive Index

n20/D 1.439(lit.)

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

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O=C(CC(C(OCC)=O)(OC(C)=O)CC(OCC)=O)OCC

InChI

InChI=1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3

InChIKey

WEAPVABOECTMGR-UHFFFAOYSA-N

LogP

0.7577999999999996

Topological Polar Surface Area

105.20000000000003 Å²

Hydrogen Bond Donor/Acceptor

0 / 8

Complexity

395

Safety Information

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Sensitiveness

易吸湿

Synonyms & References

English

triethyl O-acetylcitrate
ethyl acetylcitrate
O-Acetylcitric acid triethyl ester
Acetyl Triethyl Citrate
ATEC
Citroflex A-2
Triethyl 2-acetoxypropane-1,2,3-tricarboxylate
Triethyl 2-acetylcitrate
triethyl 2-acetyloxypropane-1,2,3-tricarboxylate
Triethyl O-Acetylcit
Triethyl acetyl citrate
2,2,6,6-TetraMethyl-3,5-heptanedione
2-(Acetyloxy)-1,2,3-propanetricarboxylic acid triethyl ester
Citroflex A 2
Triethyl acetylcitrate
Acetyltriethyl citrate
Citric acid, acetyl triethyl ester
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester
Triethyl citrate, acetate
Triethyl citrate acetate
Triethyl 2-acetoxy-1,2,3-propanetricarboxylate
Triethylester kyseliny acetylcitronove
O-Acetylcitric Acid Triethyl Ester
Triethyl o-acetylcitrate

MDL Number

MFCD00049378

Customs Code

2918990090

FAQ

What is Triethyl 2-acetoxy-1,2,3-propanetricarboxylate (CAS: 77-89-4)?

Triethyl 2-acetoxy-1,2,3-propanetricarboxylate (CAS 77-89-4) is a triester compound with the chemical formula C15H24O10. It is a white solid with high solubility in organic solvents, characterized by its ester functional groups and propanetricarboxylic acid backbone. This compound is commonly used as an intermediate in organic synthesis and is known for its stability under controlled conditions.

What are the main uses of Triethyl 2-acetoxy-1,2,3-propanetricarboxylate (CAS: 77-89-4)?

Triethyl 2-acetoxy-1,2,3-propanetricarboxylate (CAS 77-89-4) is primarily utilized in pharmaceuticals for synthesizing active pharmaceutical ingredients (APIs), in industrial applications as a precursor for polymer additives, and in research for developing new chemical compounds. It may also find use in food processing as a flavor enhancer, though specific applications depend on regulatory approvals and further study.

Is Triethyl 2-acetoxy-1,2,3-propanetricarboxylate (CAS: 77-89-4) safe?

Triethyl 2-acetoxy-1,2,3-propanetricarboxylate (CAS 77-89-4) requires careful handling due to its potential toxicity upon ingestion or inhalation. Safety measures include wearing protective gloves, goggles, and ensuring proper ventilation. It is classified as a hazardous material under OSHA and EPA guidelines, so adherence to standard safety protocols is essential to minimize risks during use or exposure.

How should Triethyl 2-acetoxy-1,2,3-propanetricarboxylate (CAS: 77-89-4) be stored?

Triethyl 2-acetoxy-1,2,3-propanetricarboxylate (CAS 77-89-4) should be stored in a cool, dry, and dark place, ideally below 25°C, in sealed, airtight containers. Avoid exposure to moisture, light, and air to maintain stability. For safety, it is recommended to store in a flammable storage cabinet if liquid, and ensure proper labeling to prevent contamination or accidental use.