Ethyl 4-methyloctanoate

Basic Information

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CAS Number

56196-53-3

Molecular Formula

C11H22O2

Molecular Weight

186.29 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

SMILES

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CCCCC(C)CCC(=O)OCC

InChI

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

InChIKey

GXARNRCIGKRBAP-UHFFFAOYSA-N

LogP

3.1560000000000015

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

132

Synonyms & References

English

Ethyl 4-methyloctanoate
4-Methyl-octanoic acid ethylester
AMY40797
ethyl 4-methyl-octanoate
56196-53-3
54831-51-5
AKOS006276325
WE(2:0/8:0(4Me))
Oryctalure
CS-0197286
SCHEMBL434247
Octanoic acid, 4-methyl-, ethyl ester
NS00056032
Ethyl 4-methyloctanoate #
Ethyl 4-metiloctanoate
EINECS 260-051-1
LMFA07010521
AS-57878
MFCD02262189
4-methyloctanoic acid ethyl ester
FT-0699596
Octanoic acid, 4-methyl-, ethyl ester, (.+/-.)-
CHEBI:179391
GXARNRCIGKRBAP-UHFFFAOYSA-N
DTXSID40971583
ETHYL 4-METHYLOCTANOATE
4-methyl-octanoic acid ethyl ester
4-Methyl-octansaeure-aethylester
DL-4-Methyl-octansaeure-ethylester
ethyl (RS)-4-methyloctanoate
rac-ethyl (4R)-4-methyloctanoate

MDL Number

MFCD02262189

FAQ

What regulatory guidelines apply to Ethyl 4-methyloctanoate (CAS: 56196-53-3)?

Ethyl 4-methyloctanoate (CAS 56196-53-3) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA and EPA requirements in the United States. It is important to consult the latest versions of these regulations for specific compliance requirements.

Are there alternatives to Ethyl 4-methyloctanoate (CAS: 56196-53-3) in synthesis?

Ethyl 4-methyloctanoate can be synthesized as an alternative to similar esters, such as ethyl 4-undecanoate or other related 4-alkyl octanoates. Common alternative reagents include different alkyl halides and carboxylic acids, which can be used to produce similar esters with varying chain lengths.

What is the market or research trend for Ethyl 4-methyloctanoate (CAS: 56196-53-3)?

Ethyl 4-methyloctanoate is increasingly being explored in fragrance and flavor industries due to its pleasant aroma. Market trends indicate growing interest in natural and sustainable alternatives, leading to research into its synthesis using renewable resources. Additionally, its use as a potential fragrance ingredient in niche and eco-friendly products is on the rise.

How should waste containing Ethyl 4-methyloctanoate (CAS: 56196-53-3) be handled?

Waste containing Ethyl 4-methyloctanoate should be collected in appropriate containers and stored in a well-ventilated area. It should be disposed of according to local regulations, typically through incineration or professional waste disposal services. Environmental precautions include proper containment to prevent spillage and ensure worker safety during handling.