CAS 85712-03-4

2,5,5-Trimethyl-1-hexanol

Description:

2,5,5-Trimethyl-1-hexanol is a branched-chain alcohol characterized by its six-carbon backbone and three methyl groups attached to the second and fifth carbon atoms. This structure contributes to its unique physical and chemical properties, including a relatively high boiling point compared to straight-chain alcohols of similar molecular weight due to increased steric hindrance. It is a colorless liquid at room temperature and is known for its mild, pleasant odor. The substance is soluble in organic solvents but has limited solubility in water, reflecting its hydrophobic characteristics. 2,5,5-Trimethyl-1-hexanol is primarily used as an intermediate in the synthesis of various chemical compounds, including surfactants and plasticizers. Additionally, it may find applications in the formulation of fragrances and flavorings due to its pleasant scent. As with many alcohols, it can participate in various chemical reactions, including oxidation and esterification, making it a versatile compound in organic chemistry. Safety data should be consulted for handling and exposure guidelines, as with any chemical substance.

Formula: C₉H₂₀O

InChI: InChI=1S/C9H20O/c1-8(7-10)5-6-9(2,3)4/h8,10H,5-7H2,1-4H3

InChI key: InChIKey=XBNGABCTADSMHF-UHFFFAOYSA-N

SMILES: C(C(CO)C)CC(C)(C)C

Synonyms:

• 2,5,5-Trimethylhexan-1-ol
• 2,5,5-Trimethyl-1-hexanol
• 1-Hexanol, 2,5,5-trimethyl-