Ethyl 2-methylpentanoate

Basic Information

View in Editor

CAS Number

39255-32-8

Molecular Formula

C8H16O2

Molecular Weight

144.21 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 Physical Properties

Boiling Point

153°C

Refractive Index

n20/D 1.401-1.405<br />n20/D 1.403(lit.)

SMILES

View in Editor

CCCC(C)C(OCC)=O

InChI

InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3

InChIKey

HZPKNSYIDSNZKW-UHFFFAOYSA-N

LogP

1.9857

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

99.4

Safety Information

View Safety Information

GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Synonyms & References

English

Ethyl 2-methylpentanoate
Ethyl 2-methylvalerate
2-Methylvaleric acid ethyl ester
2-Methylpentanoic Acid Ethyl Ester
Manzanate
Pentanoic acid, 2-methyl-, ethyl ester
Ethyl alpha-methylvalerate
Ethyl .alpha.-methylvalerate
HZPKNSYIDSNZKW-UHFFFAOYSA-N
Melon valerate
FEMA No. 3488
ethyl 2-methyl pentanoate
ethyl-2-methyl-pentanoate
Ethyl 2-Methylpentanoate.
DSSTox_CID_27198
DSSTox_RID_82193
DSSTox_GSID_47198
KSC490A2D
HZPKNSYIDSNZKW-UHFFFA

MDL Number

MFCD00036564

Customs Code

2915900090

FAQ

What regulatory guidelines apply to Ethyl 2-methylpentanoate (CAS: 39255-32-8)?

Ethyl 2-methylpentanoate (CAS: 39255-32-8) falls under the scope of the Regulation (EC) No 1907/2006, also known as REACH, for substance registration. It is also subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). For specific uses, it may be regulated by the FDA and EPA for food and pesticide applications, respectively. Ensure compliance with local and national regulations and guidelines related to chemical safety and handling.

Are there alternatives to Ethyl 2-methylpentanoate (CAS: 39255-32-8) in synthesis?

Several alternatives can be used in the synthesis of fragrances and flavorings, such as methyl 2-methylbutanoate and isopropyl 2-methylbutyrate. These alternatives offer similar functionalities but may have different properties. It is important to consider the specific application and choose the most suitable alternative based on its reactivity, cost, and availability.

What is the market or research trend for Ethyl 2-methylpentanoate (CAS: 39255-32-8)?

The market for Ethyl 2-methylpentanoate (CAS: 39255-32-8) is driven by its use in the fragrance and flavor industry. Recent research trends include the development of more sustainable and biodegradable alternatives. Additionally, there is a growing interest in natural and organic products, which may drive the demand for naturally derived analogs of this compound.

How should waste containing Ethyl 2-methylpentanoate (CAS: 39255-32-8) be handled?

Waste containing Ethyl 2-methylpentanoate (CAS: 39255-32-8) should be collected in appropriate containers and disposed of through professional waste disposal services. Ensure that the waste is not released into the environment and that all safety precautions are followed. For large quantities or hazardous waste, incineration or other controlled disposal methods may be necessary, depending on local regulations and safety guidelines.