Skip to Content
Merck
All Photos(1)

Documents

189316

Sigma-Aldrich

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

99%

Synonym(s):

2-Chloromethyl-2-methyl-1-propanol

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

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

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

Looking for similar products? Visit Product Comparison Guide

Related Categories

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.

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

2, 4, 6-Tri (2'-chloro-1', 1'-dimethylethyl)-s-trioxane: Synthesis, Spectroscopy and Crystal Structure.
Tarbutton GL and Valente EJ.
Journal of Chemical Crystallography, 40(2), 126-129 (2010)
Xin Min et al.
Royal Society open science, 5(5), 180156-180156 (2018-06-13)
A novel alkyl lithium-based initiator with relatively large steric hindrance, tert-butyldimethylsiloxydimethylpropyl lithium (TBDMSODPrLi), was designed and synthesized. By using TBDMSODPrLi, hydroxyl-terminated polybutadiene (HTPB) was prepared via anionic polymerization. The macromolecular structure of HTPB was characterized and verified by FTIR and
Catherine Vermeulen et al.
Combinatorial chemistry & high throughput screening, 9(8), 583-590 (2006-10-05)
Combinatorial chemistry was shown to be an efficient tool for the preparation of new aroma-impact compounds. In this case, polyfunctional thiols were synthesized quickly using halide reagents or Bunte salt intermediates. They were separated by gas chromatography and then characterized

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service