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Sigma-Aldrich

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

99%

Synonym(s):

2-Chloromethyl-2-methyl-1-propanol

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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

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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

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

159.8 °F - closed cup

flash_point_c

71 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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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

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