4-Methyloctanoic acid

Basic Information

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CAS Number

54947-74-9

Molecular Formula

C9H18O2

Molecular Weight

158.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

-29.5°C (estimate)

Boiling Point

143°C/20mmHg

Density

0.91

Flash Point

>110 ºC

Refractive Index

1.433

SMILES

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CCCCC(C)CCC(=O)O

InChI

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

InChIKey

LEGGANXCVQPIAI-UHFFFAOYSA-N

LogP

2.6775

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

110

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

4-methyloctanoic acid
4-Methyl-n-octanoic Acid
(±)-4-Methyloctanoic acid
4-METHYLCAPRYLIC ACID
4-MethyloCLanoic Acid
4-methyl-octanoicaci
4-Methyl-octansaeure
FEMA 3575
FEMA NUMBER 3575
HIRCINOIC ACID
METHYLOCTANSAEURE,4
Octanoic acid,4-methyl
rac-4-methyloctanoic acid
4-Methylcaprylicacid
Octanoic acid, 4-methyl-
4-methyl-octanoic acid
(+/-)-4-Methyloctanoic acid
4-methyl octanoic acid
LEGGANXCVQPIAI-UHFFFAOYSA-N
AK164469
Octanoic acid, 4-methyl-, (R)-
FEMA No. 3575
Octanoic acid,4-methyl-
KSC489O6T
BCP19094
SBB065822
LMFA0
4-Methyloctanoic acid
Hircinoic acid

MDL Number

MFCD00051938

Customs Code

2915900090

FAQ

What is 4-Methyloctanoic acid (CAS: 54947-74-9)?

4-Methyloctanoic acid is a chemical compound with the formula C9H18O2. It is a carboxylic acid with a methyl group attached to the octanoic acid chain. This compound is colorless and has a pungent odor similar to that of other carboxylic acids.

What are the main uses of 4-Methyloctanoic acid (CAS: 54947-74-9)?

4-Methyloctanoic acid is primarily used in the pharmaceutical industry as a precursor in the synthesis of other compounds. It is also used in the food industry as a flavoring agent and in research for its chemical properties.

Is 4-Methyloctanoic acid (CAS: 54947-74-9) safe?

4-Methyloctanoic acid is generally considered safe for industrial and pharmaceutical use when handled properly. However, it can cause skin irritation and should be used with gloves and protective eyewear. Keep away from open flames and ensure good ventilation during use. Toxicity data is limited, but it is important to follow safety guidelines and use in a well-ventilated area.

How should 4-Methyloctanoic acid (CAS: 54947-74-9) be stored?

4-Methyloctanoic acid should be stored in a cool, dry place away from direct sunlight and heat sources. It is best to store it in a closed container made of glass or metal to prevent exposure to air. Maintain a temperature of 15-25°C and keep the relative humidity below 60%. Avoid contact with moisture and ensure proper labeling for easy identification. Use appropriate protective gear when handling the compound.