189316

3-Chloro-2,2-dimethyl-1-propanol

99%

• Synonym(s): 2-Chloromethyl-2-methyl-1-propanol
• Linear Formula: ClCH₂C(CH₃)₂CH₂OH
• CAS Number: 13401-56-4
• Molecular Weight: 122.59
• EC Number: 236-488-9
• MDL number: MFCD00004684
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851378
• NACRES: NA.22

Properties

• Assay: 99%
• refractive index: n20/D 1.45 (lit.)
• bp: 87 °C/35 mmHg (lit.)
• mp: 34-36 °C (lit.)
• SMILES string: CC(C)(CO)CCl
• InChI: 1S/C5H11ClO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3
• InChI key: CAZPRAORHCOIHC-UHFFFAOYSA-N

Description

General description

3-Chloro-2,2-dimethyl-1-propanol undergoes oxidation with pyridinium chlorochromate to yield 3-chloro-2,2-dimethylpropanal which spontaneously trimerizes to s-trioxane.

Application

3-Chloro-2,2-dimethyl-1-propanol has been used in combinatorial preparation of new aroma-impact compounds such as polyfunctional thiols.

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 159.8 °F - closed cup
• Flash Point(C): 71 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves