(9Z)-(~13~C_18_)-9-Octadecenoic acid

Basic Information

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CAS Number

287100-82-7

Molecular Formula

13C18H34O2

Molecular Weight

300.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

13.4 °C

Boiling Point

192-195 °C/1.2 mmHg

Refractive Index

n20/D 1.4595(lit.)

SMILES

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[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]/[13CH]=[13CH]\[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)O

InChI

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1

InChIKey

ZQPPMHVWECSIRJ-IGBBIXMTSA-N

LogP

6.1085000000000065

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Safety Information

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GHS Hazard Pictograms

H315

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

Synonyms & References

English

Oleic acid-13C18
13C Labeled oleic acid
Elainic acid-13C18
(9Z)-9-Octadecenoic-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-13C18 acid (ACI)

FAQ

What are the physical and chemical properties of (9Z)-(~13~C_18_)-9-Octadecenoic acid (CAS: 287100-82-7)?

(9Z)-(~13~C_18_)-9-Octadecenoic acid is a fatty acid with a molecular weight of approximately 282.4 g/mol. It is typically a white to light yellow solid in its crystalline form. The acid has low water solubility and is moderately soluble in organic solvents like ethanol and acetone. It is less reactive than saturated fatty acids but can undergo hydrogenation and other chemical transformations under appropriate conditions.

How is (9Z)-(~13~C_18_)-9-Octadecenoic acid (CAS: 287100-82-7) typically synthesized?

(9Z)-(~13~C_18_)-9-Octadecenoic acid can be synthesized through the reduction of 9-octadecenal using hydrogen and a catalyst like palladium on carbon. Another method involves the direct reduction of oleic acid. The synthesis typically yields a high selectivity towards the 9-position, with a yield of around 85-90%, depending on the reaction conditions.

What industries use (9Z)-(~13~C_18_)-9-Octadecenoic acid (CAS: 287100-82-7)?

(9Z)-(~13~C_18_)-9-Octadecenoic acid is utilized in the pharmaceutical industry for the production of certain drugs and cosmetics. It is also incorporated into polymer formulations for enhancing flexibility and durability. Additionally, the compound finds applications in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling (9Z)-(~13~C_18_)-9-Octadecenoic acid (CAS: 287100-82-7)?

When handling (9Z)-(~13~C_18_)-9-Octadecenoic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area, preferably within a fume hood. Spills should be cleaned up immediately using appropriate absorbents, and the area should be flushed with water. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.