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MilliporeSigma

189316

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

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assay

99%

refractive index

n20/D 1.45 (lit.)

bp

87 °C/35 mmHg (lit.)

mp

34-36 °C (lit.)

functional group

chloro
hydroxyl

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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1 of 4

This Item
36295802247550604
3-Chloro-2,2-dimethyl-1-propanol 99%

Sigma-Aldrich

189316

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

2,3-Dichloro-1-propanol ≥97.0% (GC)

Sigma-Aldrich

36295

2,3-Dichloro-1-propanol

2-Chloromethyl-2,3-dihydrothieno[3,4-b]-1,4-dioxine 95%

Sigma-Aldrich

802247

2-Chloromethyl-2,3-dihydrothieno[3,4-b]-1,4-dioxine

4-Chloromethyl-2,2-dimethyl-1,3-dioxolane 97%

Sigma-Aldrich

550604

4-Chloromethyl-2,2-dimethyl-1,3-dioxolane

assay

99%

assay

≥97.0% (GC)

assay

95%

assay

97%

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

refractive index

n20/D 1.45 (lit.)

refractive index

-

refractive index

-

refractive index

n20/D 1.434 (lit.)

mp

34-36 °C (lit.)

mp

-

mp

39-44 °C

mp

-

bp

87 °C/35 mmHg (lit.)

bp

-

bp

-

bp

156-158 °C (lit.)

functional group

chloro

functional group

chloro, hydroxyl

functional group

chloro

functional group

chloro, ether, ketal

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[1].

Application

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

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

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Certificates of Analysis (COA)

Lot/Batch Number
STBK9637
STBK1514
STBK0190
STBH1254
STBH1255

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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)
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
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

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