S-BIOALLETHRIN

Basic Information

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CAS Number

22431-63-6

Molecular Formula

C19H26O3

Molecular Weight

302.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

383.44°C (rough estimate)

Refractive Index

1.4200 (estimate)

SMILES

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CC(C)=C[C@@H]1[C@@H](C(=O)O[C@H]2CC(=O)C(CC=C)=C2C)C1(C)C

InChI

InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3/t14-,16+,17+/m1/s1

InChIKey

ZCVAOQKBXKSDMS-PVAVHDDUSA-N

LogP

4.002000000000003

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

574

Synonyms & References

English

S-BIOALLETHRIN
BIOALLETHRIN

MDL Number

MFCD00192404

FAQ

What are the physical and chemical properties of S-BIOALLETHRIN (CAS: 22431-63-6)?

S-BIOALLETHRIN (CAS: 22431-63-6) is a crystalline compound with a molecular weight of approximately 220.24 g/mol. It is sparingly soluble in water but highly soluble in organic solvents. Chemically, it is an ester derived from rosin and bioethanol, making it reactive under certain conditions, particularly in the presence of strong acids or bases.

How is S-BIOALLETHRIN (CAS: 22431-63-6) typically synthesized?

S-BIOALLETHRIN (CAS: 22431-63-6) is synthesized by the esterification of bioethanol with a specific rosin-derived acid. The process typically involves the use of a solid acid catalyst, such as sulfated zirconia, to achieve high selectivity and yield. The reaction is carried out in an organic solvent, and careful temperature control is essential to ensure the desired product is formed.

What industries use S-BIOALLETHRIN (CAS: 22431-63-6)?

S-BIOALLETHRIN (CAS: 22431-63-6) is used in the agricultural sector as a biopesticide due to its insecticidal properties. It is also explored for use in the food industry as a natural preservative. Additionally, it finds applications in the pharmaceutical industry as an insect repellent and in the development of sensor technologies for detecting harmful insects.

What precautions should be taken when handling S-BIOALLETHRIN (CAS: 22431-63-6)?

When handling S-BIOALLETHRIN (CAS: 22431-63-6), it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be carried out in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials and handled according to the Safety Data Sheet (SDS) guidelines.