7-methyloctanoic acid

Basic Information

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CAS Number

26896-18-4

Molecular Formula

C9H18O2

Molecular Weight

158.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

SMILES

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CC(C)CCCCCC(=O)O

InChI

InChI=1S/C9H18O2/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)

InChIKey

XZOYHFBNQHPJRQ-UHFFFAOYSA-N

LogP

2.6775

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

108

Synonyms & References

English

NS00085343
7-methyloctanoic acid
693-19-6
7-methyl-octanoic acid
7-methylcaprylic acid
ISONONANOIC ACID
A836428
7-Methyloctanoicacid
26896-18-4
CS-0265355
FT-0655830
7-Methyloctansaeure
XZOYHFBNQHPJRQ-UHFFFAOYSA-N
Isononansaure
isopelargonic acid
D93038
Q27117040
isononanic acid
SCHEMBL254102
DTXSID10883129
Isononanoicacid
LMFA01020003
7-Methyl-octansaeure
7-methyl caprylic acid
Octanoic acid, 7-methyl-
Z1198149402
AS-56712
AKOS006272652
UNII-M3MIU88L6U
iso-nonanoic acid
FT-0621464

MDL Number

MFCD00055380

Customs Code

2942000000

FAQ

What are the physical and chemical properties of 7-methyloctanoic acid (CAS: 26896-18-4)?

7-Methyloctanoic acid (CAS: 26896-18-4) is a colorless liquid with a molecular weight of approximately 158.24 g/mol. It is slightly soluble in water but soluble in organic solvents like ethanol and acetone. The compound exhibits limited reactivity, primarily undergoing esterification and amide formation. It crystallizes as white crystals at low temperatures.

How is 7-methyloctanoic acid (CAS: 26896-18-4) typically synthesized?

7-Methyloctanoic acid is typically synthesized by the addition of methanol to 2-heptanone in the presence of a strong acid catalyst such as sulfuric acid. The reaction is conducted in an organic solvent like toluene at elevated temperatures. The product is then purified by distillation or crystallization, yielding high purity 7-methyloctanoic acid with a yield of around 80-85%.

What industries use 7-methyloctanoic acid (CAS: 26896-18-4)?

7-Methyloctanoic acid (CAS: 26896-18-4) is primarily used in the pharmaceutical industry as a precursor in the synthesis of certain drugs. It also finds applications in the cosmetic industry for fragrance and flavor formulations, as well as in the polymer industry for modifying properties of plastic materials.

What precautions should be taken when handling 7-methyloctanoic acid (CAS: 26896-18-4)?

When handling 7-methyloctanoic acid (CAS: 26896-18-4), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that the work is carried out in a well-ventilated area or a fume hood to avoid inhalation of vapors. Store the compound in a cool, dry place away from heat sources. In case of a spill, use appropriate spill cleanup procedures and refer to the Safety Data Sheet (SDS) for further guidance.