Methyl 2-nonynoate

Basic Information

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CAS Number

111-80-8

Molecular Formula

C10H16O2

Molecular Weight

100.21 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

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

121°C/20mmHg

Flash Point

101 ºC

Refractive Index

1.448

SMILES

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CCCCCCC#CC(=O)OC

InChI

InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3

InChIKey

NTLJTUMJJWVCTL-UHFFFAOYSA-N

LogP

2.976700000000002

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

183

Safety Information

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GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Methyl 2-nonynoate
2-Nonynoic acid methyl ester
Methyl 2-nonynoate analytical reference material
methyl non-2-ynoate
methyl octine carbonate
methyl octyne carbonate
FEMA 2726
Methylnon-2-inoat
METHYLOCTINCARBONAT
METHYL-2-NONYNOATE(SG)
methyloctynecarbonate
2-Nonynoic acid=methyl
METHYL 2-NONYNOATE 99%
2-Nonynoic Acid Methyl Ester
2-nonynoic acid methyl ester
methyl 2-nonynoate
METHYL 2-NONYNOATE
METHYL NON-2-YNOATE
METHYL OCTINE CARBONATE

MDL Number

MFCD00009547

Customs Code

2916190090

FAQ

What are the physical and chemical properties of Methyl 2-nonynoate (CAS: 111-80-8)?

Methyl 2-nonynoate (CAS: 111-80-8) is a liquid with a characteristic odor. It has a molecular weight of approximately 130.23 g/mol and is slightly soluble in water. It is reactive towards bases and can undergo hydrolysis. The compound is flammable and has a flash point of 116°C. It is miscible with many organic solvents.

How is Methyl 2-nonynoate (CAS: 111-80-8) typically synthesized?

Methyl 2-nonynoate is typically synthesized via an esterification reaction of 2-methyl-2-hexen-4-yne with methanol in the presence of an acid catalyst, such as sulfuric acid. The reaction conditions include a temperature range of 100-120°C and a yield of up to 85% is often achieved. This process requires careful control of the reaction temperature to avoid side reactions.

What industries use Methyl 2-nonynoate (CAS: 111-80-8)?

Methyl 2-nonynoate is used in various industries, including the fragrance and flavor industry, where it is added to perfumes and food products for its characteristic odor. It is also used in the pharmaceutical industry for the synthesis of certain compounds. Additionally, it can be used in the polymer industry as a plasticizer.

What precautions should be taken when handling Methyl 2-nonynoate (CAS: 111-80-8)?

When handling Methyl 2-nonynoate (CAS: 111-80-8), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up immediately using appropriate absorbent materials. Safety data sheets (SDS) should be consulted for detailed handling and emergency procedures. Storage should be in a cool, dry place away from incompatible materials and ignition sources.