Isobutyl 5-chloro-2,2-dimethylpentanoate

Basic Information

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CAS Number

109232-37-3

Molecular Formula

C11H21ClO2

Molecular Weight

220.74 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

Physical State

Pale-yellow to Yellow-brown Liquid

SMILES

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CC(C)COC(=O)C(C)(C)CCCCl

InChI

InChI=1S/C11H21ClO2/c1-9(2)8-14-10(13)11(3,4)6-5-7-12/h9H,5-8H2,1-4H3

InChIKey

KPAZLWVDWUAYII-UHFFFAOYSA-N

LogP

3.230800000000002

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

176

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

5-Chloro-2,2-dimethyl-pentanoicacidisobutylester
Isobutyl 5-chloro-2,2-dimethylvalerate
DTXSID60552414
FT-0602434
CS-0130724
Isobutyl5-chloro-2,2-dimethylvalerate
KPAZLWVDWUAYII-UHFFFAOYSA-N
isobutyl-5-chloro-2,2-dimethylvalerate
AKOS015900638
AB13858
isobutyl 5-chloro-2,2-di-methylpentanoate
isobutyl 5-chloro-2,2-dimethyl valerate
5-Chloro-2,2-dimethyl-pentanoic acid isobutyl ester
SCHEMBL357604
EC 600-906-1
109232-37-3
MFCD03265308
DS-13822
isobutyl 5-chloro-2,2-dimethylpentanoate
Pentanoic acid, 5-chloro-2,2-dimethyl-, 2-methylpropyl ester
C11H21ClO2
A13416
NS00003517
SY238719
2-methylpropyl 5-chloro-2,2-dimethylpentanoate
5-CHLORO-2,2-DIMETHYL-PENTANOIC ACID ISOBUTYL ESTER
5-Chloro-2,2-dimethylpentanoic acid
2-METHYLPROPYL5-CHLORO-2,2-DIMETHYLPENTANOATE
Isobutyl 5-chloro-2,2'-dimethyl valerate
Isobutyl-5-Chloro-2,2-Dimethylvalerate
Pentanoic acid,5-chloro-2,2-dimethyl-,2-methylpropyl ester

MDL Number

MFCD03265308

Customs Code

2915900090

FAQ

What are the physical and chemical properties of Isobutyl 5-chloro-2,2-dimethylpentanoate (CAS: 109232-37-3)?

Isobutyl 5-chloro-2,2-dimethylpentanoate is a clear, colorless liquid at room temperature. It has a molecular weight of approximately 217.9 g/mol. The compound is slightly soluble in water but miscible with most organic solvents. Chemically, it is moderately reactive, showing some electrophilic character, and can undergo substitution reactions. It has a boiling point around 120°C and a melting point below -30°C.

How is Isobutyl 5-chloro-2,2-dimethylpentanoate (CAS: 109232-37-3) typically synthesized?

Isobutyl 5-chloro-2,2-dimethylpentanoate is typically synthesized through a Grignard reaction followed by dehydration. The process involves the reaction of 5-chloro-2,2-dimethylpentanol with isobutyl magnesium chloride in an ether solvent. The intermediate Grignard reagent undergoes dehydration using a suitable acid catalyst like sulfuric acid to yield the final compound. The reaction is carried out under an inert atmosphere to prevent side reactions.

What industries use Isobutyl 5-chloro-2,2-dimethylpentanoate (CAS: 109232-37-3)?

Isobutyl 5-chloro-2,2-dimethylpentanoate is used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry as a monomer precursor and in the sensor industry due to its reactivity and volatility. Additionally, it can be used as a chemical intermediate in semiconductor manufacturing for specific etching processes.

What precautions should be taken when handling Isobutyl 5-chloro-2,2-dimethylpentanoate (CAS: 109232-37-3)?

When handling Isobutyl 5-chloro-2,2-dimethylpentanoate, it is essential to wear personal protective equipment (PPE) such as chemical-resistant gloves, safety goggles, and a lab coat. The substance should be stored in a well-ventilated area, preferably under a fume hood. Spills should be handled using appropriate absorbent materials and flushed with water. An SDS (Safety Data Sheet) should be consulted for detailed information on proper handling and emergency procedures.