Butanoic acid, 3-methyl-, hexyl ester

Basic Information

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CAS Number

10032-13-0

Molecular Formula

C11H22O2

Molecular Weight

186.3 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

Basic Physical Properties

Melting Point

-63.1°C (estimate)

Boiling Point

215 °C

Flash Point

190 °F

Refractive Index

n20/D 1.419

SMILES

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CCCCCCOC(=O)CC(C)C

InChI

InChI=1S/C11H22O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h10H,4-9H2,1-3H3

InChIKey

RSDDTPVXLMVLQE-UHFFFAOYSA-N

LogP

3.1560000000000015

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

130

Synonyms & References

English

Butanoic acid,3-methyl-, hexyl ester
HEXYL ISO-VALERATE
HEXYL ISOVALERATE STANDARD FOR GC
<n-Hexyl>-3-methyl-butyrat
1-Hexanol isovalerate
3-methyl-butanoic acid hexyl ester
3-methylbutyricacidhexylester
hexyl 3-methylbutanoate
hexyl 3-methylbutyrate
HEXYL ISOVALERATE,NATURAL
hexyl iso-valerianate
Hexylisovalerat
HEXYLISOVALERIANAT
Isovaleriansaeure-hexylester
isovaleric acid hexyl ester
n-Hexyl iso-valerate
n-hexylisopentanoate
hexyl isovalerate
hexyl 3-methyl butanoate
isovaleric acid, hexyl ester
n-hexyl isopentanoate
hexylisovalerate
isovalericacid,hexylester
HEXYL ISOVALERATE, NATURAL
HEXYL 3-METHYLBUTANOATE 99+%

MDL Number

MFCD00048883

Customs Code

2915900090

FAQ

What regulatory guidelines apply to Butanoic acid, 3-methyl-, hexyl ester (CAS: 10032-13-0)?

Butanoic acid, 3-methyl-, hexyl ester (CAS: 10032-13-0) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations, and FDA/EPA guidelines. It is classified as a chemical substance and requires proper labeling for safety, storage, and handling. Compliance with local and international regulations is essential for its use in various industries.

Are there alternatives to Butanoic acid, 3-methyl-, hexyl ester (CAS: 10032-13-0) in synthesis?

There are several alternatives to Butanoic acid, 3-methyl-, hexyl ester (CAS: 10032-13-0) in synthesis, including other esters with similar functional groups, such as butyl hexanoate or methyl heptanoate. These alternatives can be used depending on the specific chemical properties and reaction conditions required in the synthesis process.

What is the market or research trend for Butanoic acid, 3-methyl-, hexyl ester (CAS: 10032-13-0)?

The market for Butanoic acid, 3-methyl-, hexyl ester (CAS: 10032-13-0) has seen steady growth due to its use in fragrances, food additives, and as a solvent. Research trends are focusing on its application in cosmetic products and its potential as a biopesticide. The increasing demand in these sectors drives the market growth and innovation in the field.

How should waste containing Butanoic acid, 3-methyl-, hexyl ester (CAS: 10032-13-0) be handled?

Waste containing Butanoic acid, 3-methyl-, hexyl ester (CAS: 10032-13-0) should be collected in appropriate containers and stored in a secure, well-ventilated area. Proper incineration or professional waste disposal services should be utilized. Environmental protection precautions include ensuring no runoff and proper disposal to prevent contamination of soil and water. Compliance with local waste management regulations is crucial.