6-Methylheptanoic acid

Basic Information

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CAS Number

25103-52-0

Molecular Formula

C8H16O2

Molecular Weight

144.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Boiling Point

228.91°C (estimate)

Refractive Index

1.4130 (estimate)

SMILES

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CC(C)CCCCC(=O)O

InChI

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

InChIKey

OEOIWYCWCDBOPA-UHFFFAOYSA-N

LogP

2.2874

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

97.4

Synonyms & References

English

isooctylic acid
CS-0154230
Isocaprylic acid
FT-0621235
CEKANOIC 8 ACID
Cekanoic C8 acid
LMFA01020242
7R20G8CX85
Isooctanoic acid
6-Methylheptanoic acid
Z1198148498
6-Methylheptanoicacid
AKOS013153126
A855859
MFCD00044083
NS00083790
J-521555
CHEBI:179945
25103-52-0
EINECS 246-617-0
D95053
Q27268731
DTXSID80865871
SY204610
UNII-7R20G8CX85
EN300-226974
929-10-2
OEOIWYCWCDBOPA-UHFFFAOYSA-N
6-methyl-heptanoic acid
SCHEMBL245252
Cecanoic C8 acid

MDL Number

MFCD00044083

Customs Code

2915900090

FAQ

What is 6-Methylheptanoic acid (CAS: 25103-52-0)?

6-Methylheptanoic acid, with the CAS number 25103-52-0, is a carboxylic acid characterized by a seven-carbon chain with a methyl group at the sixth carbon position. It is a white crystalline solid with a molecular formula of C8H16O2 and a molecular weight of 144.21 g/mol. This compound is known for its strong acidic properties and is commonly used in organic synthesis and as a precursor for various chemical derivatives.

What are the main uses of 6-Methylheptanoic acid (CAS: 25103-52-0)?

6-Methylheptanoic acid (CAS: 25103-52-0) is primarily used in pharmaceutical research as an intermediate in the synthesis of drugs and bioactive compounds. It also finds applications in the fragrance and flavor industry due to its aromatic properties. Additionally, it is used in polymer chemistry and as a reagent in organic synthesis. Its versatility makes it valuable in both industrial and academic settings.

Is 6-Methylheptanoic acid (CAS: 25103-52-0) safe?

6-Methylheptanoic acid (CAS: 25103-52-0) is generally considered safe when handled properly. However, it may cause skin and eye irritation, and prolonged inhalation or ingestion could pose health risks. Safety data sheets recommend wearing protective gloves, goggles, and a lab coat when working with this compound. It should be kept away from heat and incompatible materials to ensure safe handling and storage.

How should 6-Methylheptanoic acid (CAS: 25103-52-0) be stored?

6-Methylheptanoic acid (CAS: 25103-52-0) should be stored in a cool, dry, and well-ventilated area, away from direct light. It should be kept in sealed, airtight containers made of materials compatible with organic acids, such as glass or HDPE. Storage conditions should maintain a temperature below 25°C and a relative humidity level under 60% to ensure stability and prevent degradation.