4-Methylnonanoic acid

Basic Information

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CAS Number

45019-28-1

Molecular Formula

C10H20O2

Molecular Weight

172.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Boiling Point

145°C/11mmHg

Flash Point

113 ºC

Refractive Index

1.4355

SMILES

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CCCCCC(C)CCC(O)=O

InChI

InChI=1S/C10H20O2/c1-3-4-5-6-9(2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)

InChIKey

WQTZCQIRCYSUBQ-UHFFFAOYSA-N

LogP

3.0676000000000014

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

121

Safety Information

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Hazard Statement

H290 May be corrosive to metals
Corrosive to Metals

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

Hazard Class

Class 8 Class 8

Synonyms & References

English

4-Methylnonanoic acid
Nonanoic acid, 4-methyl-
4-methyl nonanoic acid
4-Methylpelargonic acid
4-Methylnonan-1-oic acid
FEMA No. 3574
AK112837
Nonanoic acid, 4-methyl-, (4R)-
Nonanoic acid,4-methyl-
WQTZCQIRCYSUBQ-UHFFFAOYSA-N
6213AB
LMFA01020408
VZ29420
AX8012423

MDL Number

MFCD00051789

Customs Code

2915900090

FAQ

What are the physical and chemical properties of 4-Methylnonanoic acid (CAS: 45019-28-1)?

4-Methylnonanoic acid (CAS: 45019-28-1) is a colorless to white crystalline solid with a molecular weight of approximately 164.23 g/mol. It is slightly soluble in water and more soluble in organic solvents. It is reactive towards bases and is known for its carboxylic acid function, which makes it susceptible to esterification and other acid-base reactions.

How is 4-Methylnonanoic acid (CAS: 45019-28-1) typically synthesized?

4-Methylnonanoic acid (CAS: 45019-28-1) is typically synthesized through the oxidation of 4-methylnonanone or by the reaction of 4-methylnonan-1-ol with acetic anhydride. Commonly, this involves the use of a catalytic system with a suitable oxidant to selectively oxidize the alcohol to the carboxylic acid.

What industries use 4-Methylnonanoic acid (CAS: 45019-28-1)?

4-Methylnonanoic acid (CAS: 45019-28-1) is used in various industries, including pharmaceuticals for the synthesis of certain drugs, polymers for the modification of polymer properties, and sensors for the detection of specific substances. It also finds applications in the production of semiconductors and as a precursor in the organic synthesis of other compounds.

What precautions should be taken when handling 4-Methylnonanoic acid (CAS: 45019-28-1)?

When handling 4-Methylnonanoic acid (CAS: 45019-28-1), it is important to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure that work is conducted in a well-ventilated area or a fume hood to avoid inhalation of the compound. Spills should be handled with care and cleaned up according to standard laboratory safety procedures. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.