CAS 2370-13-0

2,2-Dimethyl-1-hexanol

Description:

2,2-Dimethyl-1-hexanol is a branched-chain alcohol characterized by its unique structure, which features a hexane backbone with two methyl groups attached to the second carbon and a hydroxyl (-OH) group at the first carbon. This configuration contributes to its physical properties, including a relatively low boiling point compared to straight-chain alcohols of similar molecular weight, due to the presence of branching that reduces intermolecular forces. It is a colorless liquid at room temperature and is soluble in organic solvents, but its solubility in water is limited due to the hydrophobic nature of the hydrocarbon chain. 2,2-Dimethyl-1-hexanol is primarily used as an intermediate in organic synthesis and may also find applications in the production of surfactants, plasticizers, and other chemical products. Its chemical stability and reactivity can be influenced by the presence of the hydroxyl group, allowing for various chemical transformations. Safety considerations include handling it in well-ventilated areas and using appropriate personal protective equipment, as it may pose health risks if inhaled or ingested.

Formula: C₈H₁₈O

InChI: InChI=1S/C8H18O/c1-4-5-6-8(2,3)7-9/h9H,4-7H2,1-3H3

InChI key: InChIKey=GSSDZVRLQDXOPL-UHFFFAOYSA-N

SMILES: C(CCCC)(CO)(C)C

Synonyms:

• Neooctanol
• tert-Octanol
• BRN 1732737
• 2,2-Dimethyl-1-hexanol
• 3-01-00-01737 (Beilstein Handbook Reference)
• 1-Hexanol, 2,2-dimethyl-
• 2,2-Dimethylhexanol
• tert-Octyl alcohol
• AI3-38566
• 2,2-Dimethyl-1-hexanol

1-HEXANOL, 2,2-DIMETHYL-

CAS: 2370-13-0

Formula: C₈H₁₈O

Purity: 95%

Color and Shape: Liquid

Molecular weight: 130.2279

Ref: IN-DA002O6X

2,2-Dimethylhexan-1-ol

CAS: 2370-13-0

Purity: 95%

Molecular weight: 130.2310028

Ref: 10-F747934

2,2-dimethylhexan-1-ol

CAS: 2370-13-0

2,2-dimethylhexan-1-ol is a chemical compound that contains two methyl groups. It has been identified in the atmosphere and in the chromatographic fraction of recycled oils. It is also found in the isopropyl fraction as a result of incomplete alkylation. 2,2-Dimethylhexan-1-ol is used industrially to prepare covalent adducts with tosylates, which are used as reagents for chemical ionization (CI) spectrometry and electron capture detection (ECD). The kinetic energy of 2,2-dimethylhexan-1-ol molecules was measured by atomization velocity and linear regression analysis.

Formula: C₈H₁₈O

Purity: Min. 95%

Molecular weight: 130.23 g/mol

Ref: 3D-CAA37013