(3E,8Z,11Z)-3,8,11-Tetradecatrien-1-yl acetate

Basic Information

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CAS Number

163041-94-9

Molecular Formula

C16H26O2

Molecular Weight

250.38 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

Boiling Point

333.6±31.0 ºC (760 Torr),

Flash Point

104.6±23.2 ºC,

SMILES

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CC/C=C\C/C=C\CCC/C=C/CCOC(=O)C

InChI

InChI=1S/C16H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-5,7-8,12-13H,3,6,9-11,14-15H2,1-2H3/b5-4-,8-7-,13-12+

InChIKey

HWPJPNQEVWTZSJ-XBZOLNABSA-N

LogP

4.578600000000004

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

275

Synonyms & References

English

E3,Z8,Z11-Tetradecatriene acetate
1,3,5-Tetradecatrien-1-yl acetate
3,8,11-Tetradecatrien-1-ol, acetate, (3E,8Z,11Z)-(9CI)
(3E,8Z,11Z)-TETRADECATRIENYL ACETATE
tetradeca-1,3,5-trienyl acetate
(3E,8Z,11Z)-Tetradeca-3,8,11-trienyl acetate
(E,Z,Z)-3,8,11-Tetradecatrienyl acetate
E3Z8Z11-14Ac
Tuta absoluta Pheromone blend
Tuta Absoluta PheroMone (Major)
3E, 8Z, 11Z-Tetradecatrienyl acetate
(3E,8Z,11Z)-3,8,11-Tetradecatrien-1-yl acetate
(3E,8Z,11Z)-TETRADECA-3,8,11-TRIEN-1-YL ACETATE
6CQR9SPA87
3E,8Z,11Z-Tetradecatrienyl acetate
LMFA07010306
3,8,11-Tetradecatrien-1-ol, acetate, (3E,8Z,11Z)- (9CI)

MDL Number

MFCD22581574

FAQ

What are the physical and chemical properties of (3E,8Z,11Z)-3,8,11-Tetradecatrien-1-yl acetate (CAS: 163041-94-9)?

(3E,8Z,11Z)-3,8,11-Tetradecatrien-1-yl acetate is a colorless liquid with a fruity aroma at room temperature. It has a molecular weight of approximately 258.4 g/mol and a density of about 0.87 g/cm³. This compound is relatively soluble in organic solvents like ethanol, acetone, and hexane but has limited solubility in water. Its reactivity is low, and it is stable under normal conditions, though it should be stored in a cool, dark place to maintain its stability.

How is (3E,8Z,11Z)-3,8,11-Tetradecatrien-1-yl acetate (CAS: 163041-94-9) typically synthesized?

(3E,8Z,11Z)-3,8,11-Tetradecatrien-1-yl acetate is typically synthesized via a hydrogenation process of 11-methyl-3,8-dodecadien-1-ol followed by acetylation. The hydrogenation step is often catalyzed by palladium on carbon, and the acetylation is catalyzed by an acid catalyst. The process yields around 85% of the target compound with good selectivity towards the desired isomer.

What industries use (3E,8Z,11Z)-3,8,11-Tetradecatrien-1-yl acetate (CAS: 163041-94-9)?

(3E,8Z,11Z)-3,8,11-Tetradecatrien-1-yl acetate finds application in the fragrance and flavor industry due to its pleasant aroma. It is also used in the chemical and polymer industry as a precursor for flavor compounds and as a raw material for the synthesis of other esters. Additionally, it has potential uses in the pharmaceutical and cosmetic industries as a fragrance ingredient.

What precautions should be taken when handling (3E,8Z,11Z)-3,8,11-Tetradecatrien-1-yl acetate (CAS: 163041-94-9)?

When handling (3E,8Z,11Z)-3,8,11-Tetradecatrien-1-yl acetate, it is essential to wear appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. The compound should be stored in a cool, dry place, away from direct sunlight and heat sources. In case of a spill, it should be cleaned up immediately using appropriate absorbents, and the area should be well-ventilated. For detailed safety information, refer to the material safety data sheet (MSDS) or SDS for the compound.