6-Methylheptyl 9-octadecenoate

Basic Information

View in Editor

CAS Number

26761-50-2

Molecular Formula

C26H50O2

Molecular Weight

394.68 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

SMILES

View in Editor

CCCCCCCCC=CCCCCCCCC(=O)OCCCCCC(C)C

InChI

InChI=1S/C26H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26(27)28-24-21-18-19-22-25(2)3/h11-12,25H,4-10,13-24H2,1-3H3

InChIKey

SAUIGQBKPDQYHL-UHFFFAOYSA-N

LogP

8.783500000000004

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

346

Synonyms & References

English

NS00020620
9-Octadecenoic acid (9Z)-, isooctyl ester
6-methylheptyl octadec-9-enoate
6-methylheptyl oleate
26761-50-2
9-Octadecenoic acid(9Z)-, isooctyl ester
6-methylheptyl (9Z)-octadec-9-enoate
6-Methylheptyl 9-octadecenoate
isooctyl oleate

MDL Number

MFCD00053820

FAQ

What are the physical and chemical properties of 6-Methylheptyl 9-octadecenoate (CAS: 26761-50-2)?

6-Methylheptyl 9-octadecenoate (CAS: 26761-50-2) is a liquid with a molecular weight of approximately 318.5 g/mol. It has a high boiling point around 300°C and is moderately soluble in common organic solvents like ethanol and acetone. The compound shows limited reactivity under normal conditions but can undergo oxidative degradation if exposed to air and light. It is stable under acidic and basic conditions.

How is 6-Methylheptyl 9-octadecenoate (CAS: 26761-50-2) typically synthesized?

6-Methylheptyl 9-octadecenoate (CAS: 26761-50-2) is synthesized through an esterification reaction between 6-methylheptyl alcohol and 9-octadecenoic acid. Common catalysts include sulfuric acid or a suitable metal oxide. The reaction is carried out at a mild temperature, and the product is purified by distillation. The yield is typically around 85-90% with high selectivity towards the desired ester product.

What industries use 6-Methylheptyl 9-octadecenoate (CAS: 26761-50-2)?

6-Methylheptyl 9-octadecenoate (CAS: 26761-50-2) is used in various industries, including the pharmaceutical industry for its potential as a drug intermediate, in sensor technology for its unique chemical properties, and in the polymer industry for modifying the properties of plastics. It is also explored in the cosmetic and fragrance industry for its aromatic qualities.

What precautions should be taken when handling 6-Methylheptyl 9-octadecenoate (CAS: 26761-50-2)?

When handling 6-Methylheptyl 9-octadecenoate (CAS: 26761-50-2), it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a well-ventilated area away from direct sunlight and sources of ignition. In case of a spill, use appropriate absorbent materials, and ensure to follow the safety data sheet (SDS) for disposal instructions. Always work in a fume hood to minimize inhalation risks.