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Merck
CN

476471

2-Methylbutyryl chloride

97%

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About This Item

Linear Formula:
C2H5CH(CH3)COCl
CAS Number:
Molecular Weight:
120.58
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
260-787-3
MDL number:
Assay:
97%
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Quality Level

assay

97%

refractive index

n20/D 1.418 (lit.)

bp

117-121 °C (lit.)

density

0.972 g/mL at 25 °C (lit.)

functional group

acyl chloride

SMILES string

CCC(C)C(Cl)=O

InChI

1S/C5H9ClO/c1-3-4(2)5(6)7/h4H,3H2,1-2H3

InChI key

XRPVXVRWIDOORM-UHFFFAOYSA-N

General description

2-Methylbutyryl chloride is an acid chloride. It has been reported to be synthesized from 2-methylbutyric acid and thionyl chloride.

Application

2-Methylbutyryl chloride was used in the synthesis of 2-methylbutyramide and N-((R,S)-2-methylbutanoyl)salicylhydrazide.
It may be used in the synthesis of the 2-methyl-1-phenyl-1-butanone and 1,1′-(1,3,7,9-tetrahydroxydibenzofuran-2,6-diyl)bis(2-methylbutan-1-one).


pictograms

FlameCorrosion

signalword

Danger

hcodes

Hazard Classifications

Flam. Liq. 2 - Skin Corr. 1B

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

68.0 °F - closed cup

flash_point_c

20 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品

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Synthesis of 2-Methyl-2-hydroxy-1-phenyl-1-butanone.
Hu YX, et al.
Chemical World, 5, 10-10 (2008)
Sabrina Heng et al.
European journal of medicinal chemistry, 45(4), 1478-1484 (2010-02-02)
Natural products often contain unusual scaffold structures that may be elaborated by combinatorial methods to develop new drug-like molecules. Visual inspection of more than 128 natural products with some type of anti-diabetic activity suggested that a subset might provide novel
Effects of sulphur nutrition during potato cultivation on the formation of acrylamide and aroma compounds during cooking.
Elmore JS, et al.
Food Chemistry, 122(3), 753-760 (2010)



Global Trade Item Number

SKUGTIN
476471-5G04061832362649