Propyl (9Z)-9-octadecenoate

Basic Information

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CAS Number

111-59-1

Molecular Formula

C21H40O2

Molecular Weight

324.55 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

Boiling Point

400.6°Cat760mmHg

Density

0.871

Flash Point

90.9°C

Refractive Index

1.455

SMILES

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CCCCCCCCC=CCCCCCCCC(=O)OCCC

InChI

InChI=1S/C21H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h11-12H,3-10,13-20H2,1-2H3/b12-11-

InChIKey

BVWMJLIIGRDFEI-QXMHVHEDSA-N

LogP

6.977100000000008

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

271

Synonyms & References

English

111-59-1
NSC50932
Oleic acid, propyl ester
9-Octadecenoic acid (9Z)-, propyl ester
9-Octadecenoic acid (9Z)-, propyl ester, sulfated, sodium salt
Emery 2302
Q27231298
Oleic acid, propyl ester, hydrogen sulfate, sodium salt
PROPYL (Z)-9-OCTADECENOATE
9-Octadecenoic acid, (Z)-, propyl ester
(Z)-9-Octadecenoic acid propyl ester
Propyl oleate
68412-05-5
BVWMJLIIGRDFEI-QXMHVHEDSA-N
Propyl 9-octadecenoate
EINECS 203-885-3
405963E218
propyl (Z)-octadec-9-enoate
OLEIC ACID PROPYL ESTER
Emery@ 2302
9-Octadecenoic acid(9Z)-, propyl ester
UNII-405963E218
NSC-50932
AI3-26171
cis-9-Octadecenoic acid, propyl ester
SCHEMBL161987
9-Octadecenoic acid (Z)-, propyl ester
J-002603
NS00020139
NSC 50932
9-OCTADECENOIC ACID (9Z)-, N-PROPYL ESTER

MDL Number

MFCD00048981

Customs Code

2916150000

FAQ

What are the physical and chemical properties of Propyl (9Z)-9-octadecenoate (CAS: 111-59-1)?

Propyl (9Z)-9-octadecenoate (CAS: 111-59-1) is a liquid with a slightly aromatic odor. It has a molecular weight of approximately 264.44 g/mol and a density of 0.89 g/cm³. The compound is moderately soluble in common organic solvents like ethanol and acetone but is insoluble in water. It is relatively stable under normal conditions but can undergo hydrolysis under acidic conditions. It is used in various applications due to its chemical reactivity and functionality.

How is Propyl (9Z)-9-octadecenoate (CAS: 111-59-1) typically synthesized?

Propyl (9Z)-9-octadecenoate (CAS: 111-59-1) is typically synthesized via a reaction between propionic acid and 9-octadecenoic acid. The synthesis involves the use of a catalytic esterification process where an acidic catalyst (such as sulfuric acid) is employed to facilitate the conversion of the carboxylic acids into esters. The yield is usually high, and the product is purified by techniques such as distillation and recrystallization.

What industries use Propyl (9Z)-9-octadecenoate (CAS: 111-59-1)?

Propyl (9Z)-9-octadecenoate (CAS: 111-59-1) is used in a variety of industries. It is commonly found in the pharmaceutical sector for its use as a precursor in the synthesis of drugs. In the polymer industry, it serves as a monomer for the production of certain types of plastics and resins. Additionally, it is utilized in the manufacture of sensor materials and as a component in semiconductor applications for its unique physical and chemical properties.

What precautions should be taken when handling Propyl (9Z)-9-octadecenoate (CAS: 111-59-1)?

When handling Propyl (9Z)-9-octadecenoate (CAS: 111-59-1), it is essential to follow appropriate safety measures. Wear personal protective equipment (PPE) such as safety goggles, gloves, and a lab coat to protect against skin contact and inhalation. Work in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents. Refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions to ensure safe laboratory practices.