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3,5,5-Trimethylhexanoic acid(CAS: 3302-10-1)

3,5,5-Trimethylhexanoic acid
CAS Number

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Basic Information

Molecular Formula
C9H18O2
Molecular Weight
158.24 g/mol

Physical Properties

Melting Point
-70°C
Boiling Point
120°C/13mmHg(lit.)
Flash Point
125°C

Chemical Identifiers

SMILES
CC(CC(=O)O)CC(C)(C)C
InChIKey
OILUAKBAMVLXGF-UHFFFAOYSA-N

Database References

MDL Number
MFCD00020507
Beilstein Registry Number
1749506

FAQ

3,5,5-Trimethylhexanoic acid (CAS: 3302-10-1) is a colorless to light yellow crystalline solid with a molecular weight of 154.24 g/mol. It has a melting point of 56-57°C and a boiling point of 233-235°C. This compound is slightly soluble in water and soluble in organic solvents like ethanol and acetone. It is relatively stable under normal conditions but can react with strong bases to form salts.
3,5,5-Trimethylhexanoic acid is typically synthesized via the hydrolysis of 3,5,5-trimethylhexanoyl chloride. A common method involves the reaction of ethyl (2S,3R)-3,5,5-trimethylhexanoate with sodium hydroxide in methanol or ethanol, followed by acidification to obtain the free acid. The yield is around 85-90%, with good selectivity and high purity.
3,5,5-Trimethylhexanoic acid (CAS: 3302-10-1) is used in various industries. It is primarily employed in the pharmaceutical industry as a precursor for drug synthesis. Additionally, it is utilized in the polymer industry for the production of certain polymers and in the food industry as a flavor enhancer. It also finds applications in analytical chemistry as a derivatization reagent for gas chromatography.
When handling 3,5,5-Trimethylhexanoic acid (CAS: 3302-10-1), appropriate personal protective equipment (PPE) must be worn, including gloves, safety goggles, and a lab coat. This compound should be stored in a well-ventilated area or under a fume hood. In case of a spill, it should be cleaned up immediately with appropriate absorbent materials. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.

Safety Notice

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