(5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one

Basic Information

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CAS Number

1117-52-8

Molecular Formula

C18H30O

Molecular Weight

262.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Refractive Index

n20/D 1.481

SMILES

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

InChI

InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+

InChIKey

LTUMRKDLVGQMJU-IUBLYSDUSA-N

LogP

5.774800000000006

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

352

Synonyms & References

English

(5E,9E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one
6,10,14-Trimethylpentadeca-5,9,13-trien-2-one
E,E-Farnesylacetone
13,14-dihydrofarnesylacetone
5,9,13-PENTADECATRIEN-2-ONE,6,10,14-TRIMETHYL
5,9,13-Pentadecatriene-2-one,6,10,14-trimethyl
6,10,14-trimethyl-5,9,13-pentadecatrien-2-one
Farnesyl acetone
hexahydrofarnesylacetone
hydrofarnesylacetone
Farnesylacetone
(E,E)-farnesylacetone
trans,trans-farnesylacetone
LTUMRKDLVGQMJU-IUBLYSDUSA-N
3S0G4N267H
5,9,13-Pentad

MDL Number

MFCD00036517

Customs Code

2914190090

FAQ

What are the physical and chemical properties of (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one (CAS: 1117-52-8)?

(5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one is a colorless liquid with a specific gravity of 0.896 and a molecular weight of 266.44 g/mol. It is slightly soluble in water but miscible with most organic solvents. The compound is moderately reactive, showing limited reactivity with common reagents and is known for its stability under standard storage conditions. It does not react readily with air or moisture but can undergo polymerization under high temperatures or strong light.

How is (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one (CAS: 1117-52-8) typically synthesized?

(5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one can be synthesized via a cyclocondensation reaction of appropriate starting materials, such as methyl esters and aldehydes, under basic conditions. The reaction is typically catalyzed by sodium hydroxide or potassium hydroxide. The yield can be up to 85% with good selectivity, and the process is conducted at room temperature or slightly elevated temperatures, depending on the reagents used.

What industries use (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one (CAS: 1117-52-8)?

(5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one is used in several industries. It is a key component in the production of perfumes and cosmetic products due to its pleasant odor. Additionally, it finds applications in the pharmaceutical industry as a precursor for the synthesis of certain organic compounds. It is also used in the polymer industry to modify the properties of polymers, and in the production of sensors for detecting certain organic compounds.

What precautions should be taken when handling (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one (CAS: 1117-52-8)?

When handling (5E,9E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one, it is essential to use appropriate Personal Protective Equipment (PPE) such as gloves, safety goggles, and lab coats. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spills, use appropriate spill containment materials and ensure proper disposal according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.