ChemicalBook--->CAS DataBase List--->13679-72-6

13679-72-6

13679-72-6 Structure

13679-72-6 Structure
IdentificationMore
[Name]

2-Acetyl-3-methylthiophene
[CAS]

13679-72-6
[Synonyms]

2-ACETYL-3-METHYLTHIOPHENE
3-METHYL-2-ACETYLTHIOPHENE
1-(3-methyl-2-thienyl)ethan-1-one
1-(3-Methyl-2-thienyl)ethanone
1-(3-Methyl-thiophen-2-yl)-ethanone
Ethanone, 1-(3-methyl-2-thienyl)-
Thiophene, 2-acetyl-3-methyl
2-ACETYL-3-METHYLTHIOPHENE,98%
76167
3-METHYL-2-ACETYLTHIOPHENE
[EINECS(EC#)]

237-179-1
[Molecular Formula]

C7H8OS
[MDL Number]

MFCD00005443
[Molecular Weight]

140.2
[MOL File]

13679-72-6.mol
Chemical PropertiesBack Directory
[Boiling point ]

98-99 °C14 mm Hg(lit.)
[density ]

1.124 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.562(lit.)
[Fp ]

199 °F
[storage temp. ]

2-8°C
[Specific Gravity]

1.126
[Appearance]

Colorless to light yellow Liquid
[Odor]

phenolic wintergreen almond floral cananga
[Odor Type]

phenolic
[BRN ]

112023
[InChI]

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

YBJDKNXEWQSGEL-UHFFFAOYSA-N
[SMILES]

CC(=O)c1sccc1C
[LogP]

0.683 (est)
[CAS DataBase Reference]

13679-72-6(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Acetyl-3-methylthiophene(13679-72-6)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
[WGK Germany ]

3
[HazardClass ]

IRRITANT, IRRITANT-HARMFUL
[PackingGroup ]

III
[HS Code ]

29349990
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium carbonate-->Acetic anhydride-->Phosphoric acid-->Boron trifluoride diethyl etherate-->3-Methylthiophene-->Acetonitrile
[Preparation Products]

3-Methyl-2-thiophenecarboxylic acid-->2,5-Dihydrothiophene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Acetyl-3-methylthiophene(13679-72-6).msds
Hazard InformationBack Directory
[Uses]

2-Acetyl-3-methylthiophene has been used in:
  • automated parallel synthesis of combinatorial arrays of individual chalcone derivatives
  • synthesis of 2-hydroxy-4-(3-methylthiophen-2-yl)-4-oxobut-2-enoic acid
[Definition]

ChEBI: 2-Acetyl-3-methylthiophene is an aromatic ketone.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Acetyl-3-methylthiophene(13679-72-6)1HNMR
2-Acetyl-3-methylthiophene(13679-72-6)IR
2-Acetyl-3-methylthiophene(13679-72-6)FT-IR
2-Acetyl-3-methylthiophene(13679-72-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Acetyl-3-methylthiophene, 97%(13679-72-6)
[Sigma Aldrich]

13679-72-6(sigmaaldrich)
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