Hexanoic acid,2-ethyl-, 1,1',1''-(1,2,3-propanetriyl) ester

Basic Information

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CAS Number

7360-38-5

Molecular Formula

C27H52O8--

Molecular Weight

504.7 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

Density

0.968

SMILES

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CCCCC(C(=O)[O-])CC.CCCCC(C(=O)[O-])CC.CCCCC(C(=O)OCC(CO)O)CC

InChI

InChI=1S/C11H22O4.2C8H16O2/c1-3-5-6-9(4-2)11(14)15-8-10(13)7-12;2*1-3-5-6-7(4-2)8(9)10/h9-10,12-13H,3-8H2,1-2H3;2*7H,3-6H2,1-2H3,(H,9,10)/p-2

InChIKey

VQYOWZUZFWMMQS-UHFFFAOYSA-L

LogP

3.0046000000000017

Topological Polar Surface Area

147.01999999999998 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

501

Synonyms & References

English

Glyceryl tri(2-ethylhexanoate)
2-Ethylcaproic acid triglyceride
2-Ethylhexanoic acid 1,2,3-propanetriyl ester
Propane-1,2,3-triyl 2-ethylhexanoate
Glyceryl triisocaprylate
1,2,3-<tris(2-ethylhexanoyloxy)>propane
2-ethyl-hexanoic acid propane-1,2,3-triyl ester
Glycerin tris(2-ethylhexanoate)
glycerol tri-2-ethyl-hexanoate
GLYCEROL TRIS(2-ETHYLHEXANOATE)
Propan-1,2,3-triyl-2-ethylhexanoat
Tricaprylin?(Trioctanoin)?
TRIETHYLHEXANOIN
tris-(2-ethyl-hexanoyloxy)-propane

MDL Number

MFCD04038092

Customs Code

2915900090

FAQ

What regulatory guidelines apply to Hexanoic acid, 2-ethyl-, 1,1',1''-(1,2,3-propanetriyl) ester (CAS: 7360-38-5)?

Hexanoic acid, 2-ethyl-, 1,1',1''-(1,2,3-propanetriyl) ester (CAS: 7360-38-5) is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. GHS categorizes the compound as a skin and eye irritant. REACH requires manufacturers and importers to register substances above 1 tonne per year. FDA and EPA have established guidelines for the safe handling, storage, and disposal of the compound.

Are there alternatives to Hexanoic acid, 2-ethyl-, 1,1',1''-(1,2,3-propanetriyl) ester (CAS: 7360-38-5) in synthesis?

Alternative reagents to Hexanoic acid, 2-ethyl-, 1,1',1''-(1,2,3-propanetriyl) ester (CAS: 7360-38-5) in synthesis include other esters such as 2-ethylhexanoic acid, isomers, or related compounds like ethyl hexanoate. Isomers and analogs can be used depending on the specific application and desired chemical properties.

What is the market or research trend for Hexanoic acid, 2-ethyl-, 1,1',1''-(1,2,3-propanetriyl) ester (CAS: 7360-38-5)?

The market for Hexanoic acid, 2-ethyl-, 1,1',1''-(1,2,3-propanetriyl) ester (CAS: 7360-38-5) is growing due to its applications in fragrances, flavors, and as a component in personal care products. Research trends focus on its use in sustainable chemistry and green chemistry initiatives, exploring its biodegradability and potential as a green alternative to traditional esters.

How should waste containing Hexanoic acid, 2-ethyl-, 1,1',1''-(1,2,3-propanetriyl) ester (CAS: 7360-38-5) be handled?

Waste containing Hexanoic acid, 2-ethyl-, 1,1',1''-(1,2,3-propanetriyl) ester (CAS: 7360-38-5) should be collected in appropriate containers and stored in a cool, well-ventilated area. Incineration or professional waste disposal is recommended. Environmental protection measures should include neutralization and detoxification before disposal to prevent environmental contamination. Proper documentation and adherence to local waste management regulations are essential.