1,2,3-Propanetriyl triheptanoate

Basic Information

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CAS Number

620-67-7

Molecular Formula

C24H44O6

Molecular Weight

428.61 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

Boiling Point

Vapour density:

Density

0.966 g/mL at 20 °C

Flash Point

195.5°C

Refractive Index

n20/D 1.444

SMILES

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CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC

InChI

InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3

InChIKey

PJHKBYALYHRYSK-UHFFFAOYSA-N

LogP

5.895800000000007

Topological Polar Surface Area

78.9 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

421

Safety Information

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GHS Hazard Pictograms

H315

H411

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Stability

Stable. Incompatible with strong oxidizing agents.

Synonyms & References

English

Heptanoic acid,1,1',1''-(1,2,3-propanetriyl) ester
Glycerol trienanthate
Trienathoin
Triheptanoin
Triheptanoin-D39
Glycerol triheptanoate
1,2,3-Tris-heptanoyloxy-propan
1,2,3-tris-heptanoyloxy-propane
Glycerol-1,2,3-triheptanoate
glyceryl triheptanoate
propane-1,2,3-triyl trisheptanoate
trienanthoin
TRIHEPTANION
tri-heptanoi
triheptanoicglyceride
triheptylin
TRIOENANTHIN
trioenanthoin
Heptanoic acid 1,1',1''-(1,2,3-propanetriyl) ester
Triheptanoic glyceride
Trioenanthin
Trienanthoin
Glyceryl triheptanoate
Trioenanthoin
propane-1,2,3-triyl triheptanoate

MDL Number

MFCD00042910

Customs Code

2915900090

FAQ

What are the physical and chemical properties of 1,2,3-Propanetriyl triheptanoate (CAS: 620-67-7)?

1,2,3-Propanetriyl triheptanoate (CAS: 620-67-7) is a clear, colorless liquid at room temperature. Its molecular weight is approximately 396.45 g/mol. This compound has a low solubility in water but is soluble in organic solvents like ethanol and acetone. Chemically, it is less reactive compared to other esters, making it stable under normal conditions. It has a characteristic fragrance and is used as a flavor and fragrance ingredient in the food and cosmetic industries.

How is 1,2,3-Propanetriyl triheptanoate (CAS: 620-67-7) typically synthesized?

1,2,3-Propanetriyl triheptanoate (CAS: 620-67-7) is typically synthesized by esterification of heptanoic acid with 1,2,3-propanetriol. This process involves heating the reactants in the presence of a catalyst such as sulfuric acid or a solid acid catalyst. The reaction is conducted under reflux conditions, and the product is isolated by distillation. The yield and selectivity are influenced by the reaction conditions and catalyst choice.

What industries use 1,2,3-Propanetriyl triheptanoate (CAS: 620-67-7)?

1,2,3-Propanetriyl triheptanoate (CAS: 620-67-7) is commonly used in the food and cosmetic industries as a flavor and fragrance ingredient. It is also utilized in the pharmaceutical industry for its chemical properties, and in polymer manufacturing where it can improve the physical properties of polymer films and coatings.

What precautions should be taken when handling 1,2,3-Propanetriyl triheptanoate (CAS: 620-67-7)?

When handling 1,2,3-Propanetriyl triheptanoate (CAS: 620-67-7), it is important to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risk. Spills should be cleaned up immediately using appropriate absorbents, and the area should be thoroughly rinsed with water. The Safety Data Sheet (SDS) should always be consulted for specific handling and emergency procedures.