88-15-3
Product Name:
2-Acetylthiophene
Formula:
C6H6OS
Synonyms:
2-Acetylthiophene;Methyl-2-thienyl ketone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Pale yellow liquid with a slightly sweet odor; [Alfa Aesar MSDS] |
|---|---|
| Boiling Point | 213.00 °C. @ 760.00 mm Hg |
| Melting Point | 9 °C |
| Solubility | 14 mg/mL at 30 °C |
| Vapor Pressure | 0.36 [mmHg] |
| LogP | 1.25 |
| Kovats Retention Index | 1051 1051 1053 1055 1052 1060 1069 1058 1050 1049 1052 1085 1061 1058 1060 1051 1069 1067 1058 1066 1041 1043 1049 1078 |
| Chemical Classes | Other Classes -> Thiophenes |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H311:Acute toxicity,dermal |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 126.18 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 126.01393598 g/mol |
| Monoisotopic Mass | 126.01393598 g/mol |
| Topological Polar Surface Area | 45.3 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 101 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
Description
2-Acetylthiophene, also known as 2-acetothienone or thiophene,2-acetyl, belongs to the class of organic compounds known as aryl alkyl ketones. These ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. 2-Acetylthiophene is a sulfury-tasting compound. 2-Acetylthiophene is found, on average, in the highest concentration within kohlrabis. 2-Acetylthiophene has also been detected, but not quantified, in asparagus. This could make 2-acetylthiophene a potential biomarker for the consumption of these foods.