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1-(5-Methyl-2-thienyl)ethan-1-one

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1-(5-Methyl-2-thienyl)ethan-1-one Basic information

Product Name:
1-(5-Methyl-2-thienyl)ethan-1-one
Synonyms:
  • 1-(5-methyl-2-thiophenyl)ethanone
  • 1-(5-methyl-2-thienyl)ethan-1-one
  • 2-Acetyl-5-Methylthiophene, 98% 25GR
  • 1-(5-methyl-2-thienyl)-ethanon
  • 1-(5-Methyl-2-thienyl)ethanone
  • 1-(5-Methyl-thiophen-2-yl)-ethanone
  • 5-Methyl-2-acetylthiophene
  • Ethanone, 1-(5-methyl-2-thienyl)-
CAS:
13679-74-8
MF:
C7H8OS
MW:
140.2
EINECS:
237-181-2
Product Categories:
  • Building Blocks
  • Heterocyclic Building Blocks
  • Thiophene&Benzothiophene
  • Thiophens
  • Thiophenes
Mol File:
13679-74-8.mol
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1-(5-Methyl-2-thienyl)ethan-1-one Chemical Properties

Melting point:
24-28 °C(lit.)
Boiling point:
65-67 °C1 mm Hg(lit.)
Density 
1.106 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.561(lit.)
FEMA 
4643 | 2-ACETYL-5-METHYLTHIOPHENE
Flash point:
>230 °F
storage temp. 
under inert gas (nitrogen or Argon) at 2–8 °C
form 
Low Melting Crystalline Mass, Powder or Crystals
Specific Gravity
1.119
color 
White to pale yellow
Odor
at 1.00 % in propylene glycol. sweet spicy honey hawthorn almond acacia hyacinth caramellic graham cracker
Odor Type
spicy
Sensitive 
Light Sensitive
JECFA Number
2107
BRN 
110854
LogP
2.04
CAS DataBase Reference
13679-74-8(CAS DataBase Reference)
NIST Chemistry Reference
2-Acetyl-5-methylthiophene(13679-74-8)
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Safety Information

Hazard Codes 
Xn,Xi
Risk Statements 
20/21/22
Safety Statements 
36/37-22
RIDADR 
UN 3335
WGK Germany 
3
RTECS 
OB4972000
Hazard Note 
Irritant
HazardClass 
STENCH
HS Code 
29349990

MSDS

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1-(5-Methyl-2-thienyl)ethan-1-one Usage And Synthesis

Chemical Properties

white to light yellow crystal powder

Uses

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

Definition

ChEBI: 2-acetyl-5-methylthiophene is a thiophene that is substituted by acetyl and methyl groups at positions 2 and 5, respectively. It has a role as a flavouring agent. It is an aromatic ketone, a member of thiophenes and a methyl ketone.

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.

Safety Profile

A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of SOx.

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