Methyl 2-nonenoate

Basic Information

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CAS Number

111-79-5

Molecular Formula

C10H18O2

Molecular Weight

170.25 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 Physical Properties

Melting Point

-89.9°C (estimate)

Boiling Point

115 ºC (21 mmHg)

Flash Point

196 ºF

Refractive Index

1.444

SMILES

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CCCCCCC=CC(=O)OC

InChI

InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3

InChIKey

ZWNPUELCBZVMDA-UHFFFAOYSA-N

LogP

2.686000000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

139

Synonyms & References

English

BRN 1754167
D70493
2-Nonenoic acid, methyl ester, (2E)-
DTXCID1027637
NSC 76416
Methyl (2E)-2-nonenoate
J9XX5Y9211
methyl (E)-non-2-enoate
SCHEMBL874682
CS-0152302
(E)-non-2-enoic acid methyl ester
3-02-00-01347 (Beilstein Handbook Reference)
MFCD00027316
NS00127378
trans-non-2-enoic acid methyl ester
AKOS005381295
Methylnon-2-enoate
Nonenoic acid, methyl ester
CHEMBL3184812
A802413
2-Nonenoic acid, methyl ester, (E)-
FEMA No. 2725
111-79-5
14952-06-8
Neofolione
37822-76-7
Melon nonenoate
Methyl nonenoate
methyl (2E)-non-2-enoate
(E)-methyl non-2-enoate
2-Nonenoic acid, methyl ester, trans-

MDL Number

MFCD00027316

FAQ

What regulatory guidelines apply to Methyl 2-nonenoate (CAS: 111-79-5)?

Methyl 2-nonenoate (CAS: 111-79-5) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH in the European Union, and by the FDA and EPA in the United States. It is classified as a skin and eye irritant under GHS, and companies handling this compound must comply with proper labeling, storage, and disposal requirements. Compliance with these regulations ensures safe handling and minimizes environmental impact.

Are there alternatives to Methyl 2-nonenoate (CAS: 111-79-5) in synthesis?

Several alternatives to Methyl 2-nonenoate (CAS: 111-79-5) exist in synthesis, such as other esters or ketones. For example, methyl 3-heptenoate and methyl 4-heptenoate are often used as substitutes due to their similar chemical properties. Researchers should consider factors like reactivity, cost, and availability when selecting an alternative.

What is the market or research trend for Methyl 2-nonenoate (CAS: 111-79-5)?

Methyl 2-nonenoate (CAS: 111-79-5) is primarily used in the fragrance and perfume industry. Research trends indicate a focus on sustainable and eco-friendly alternatives, which could drive the development of new natural esters. Market trends suggest a growing demand for high-quality fragrances and personal care products, driving interest in this compound and its derivatives.

How should waste containing Methyl 2-nonenoate (CAS: 111-79-5) be handled?

Waste containing Methyl 2-nonenoate (CAS: 111-79-5) should be collected in appropriate containers and stored in a well-ventilated area. It is advisable to incinerate the waste or use a professional waste disposal service to ensure compliance with environmental regulations. Proper handling and disposal prevent environmental contamination and ensure worker safety.