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533610

2-Acetyl-5-methylthiophene

98%

Synonym(s):

1-(5-Methyl-2-thienyl)ethanone, 1-(5-Methylthiophen-2-yl)ethan-1-one, 1-(5-Methylthiophen-2-yl)ethanone, 2-Methyl-5-acetylthiophene, 5-Methyl-2-thienyl methyl ketone, Methyl 5-methyl-2-thienyl ketone

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About This Item

Empirical Formula (Hill Notation):
C7H8OS
CAS Number:
13679-74-8
Molecular Weight:
140.20
NACRES:
NA.22
PubChem Substance ID:
24877976
UNSPSC Code:
12352100
EC Number:
237-181-2
MDL number:
MFCD00014529
Assay:
98%
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Quality Segment

200

assay

98%

refractive index

n20/D 1.561 (lit.)

bp

65-67 °C/1 mmHg (lit.)

mp

24-28 °C (lit.)

density

1.106 g/mL at 25 °C (lit.)

functional group

ketone

SMILES string

CC(=O)c1ccc(C)s1

InChI

1S/C7H8OS/c1-5-3-4-7(9-5)6(2)8/h3-4H,1-2H3

InChI key

YOSDTJYMDAEEAZ-UHFFFAOYSA-N

General description

2-Acetyl-5-methylthiophene is a volatile organic compound formed during the reaction between L-cysteine and dihydroxyacetone in glycerine or triglyceride solvent system. It can be prepared by reacting 2-methylthiophene with acetic anhydride. 2-Acetyl-5-methylthiophene undergoes palladium-catalyzed cross-coupling reaction with aryl bromides to form C-4 arylated product. It reacts with 1,2-bis(5-formyl-2-methylthiophen-3-yl)cyclopentene via Aldol condensation to form a chalcone with photochromic property. The standard molar enthalpies of combustion, formation and vaporization of 2-acetyl-5-methylthiophene are 4341.9 ± 1.8kJ/mol, 158.0 ± 2.1kJ/mol and 62.0 ± 2.6kJ/mol, respectively.

Application

2-Acetyl-5-methylthiophene may be used in the preparation of:
  • 2-ethyl-5-methylthiophene
  • (5-methylthiophen-2-yl)glyoxal
  • (2E)-1-(5-methylthiophen-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one
  • ethyl 3-(5-methylthiophen-2-yl)-3-oxopropanoate

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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