Dihydro-2-methyl-3(2H)-thiophenone
Synonym(s):blackberry thiophenone
- CAS NO.：13679-85-1
- Empirical Formula: C5H8OS
- Molecular Weight: 116.18
- MDL number: MFCD00078280
- EINECS: 237-183-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 14:08:57
What is Dihydro-2-methyl-3(2H)-thiophenone?
Chemical properties
Light yellow liquid
Occurrence
Reported found in beer, coffee, corn, roasted peanuts, cooked beef and pork, malt whiskey, grape wines, tea, strawberry and bilberry wine, butter and malt
The Uses of Dihydro-2-methyl-3(2H)-thiophenone
2-Methyltetrahydrothiophen-3-one is a dually substituted thiophene with butter and balsamic organoleptic qualities.
What are the applications of Application
2-Methyltetrahydrothiophen-3-one is a dually substituted thiophene with butter and balsamic organoleptic qualities
Definition
ChEBI: 2-methylthiolan-3-one is a member of the class of tetrahydrothiophenes that is thiolane substituted by a methyl group at position 2 and an oxo group at position 3 respectively. It has a role as a flavouring agent and a metabolite. It is a member of tetrahydrothiophenes and a cyclic ketone. It derives from a hydride of a tetrahydrothiophene.
Aroma threshold values
Aroma characteristics at 1.0%: pungent, alliaceous, coffee with a gasoline nuance
Taste threshold values
Taste characteristics at 5 ppm: horseradish and onion with a slight bite and a milky nuance
Properties of Dihydro-2-methyl-3(2H)-thiophenone
| Boiling point: | 82 °C28 mm Hg(lit.) |
| Density | 1.119 g/mL at 25 °C(lit.) |
| refractive index | n |
| FEMA | 3512 | 2-METHYLTETRAHYDROTHIOPHEN-3-ONE |
| Flash point: | 160 °F |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | clear liquid |
| color | Colorless to Light orange to Yellow |
| Odor | at 0.10 % in dipropylene glycol. sulfur fruity berry |
| JECFA Number | 499 |
| BRN | 106443 |
| CAS DataBase Reference | 13679-85-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 3(2H)-thiophenone, dihydro-2-methyl-(13679-85-1) |
| EPA Substance Registry System | 3(2H)-Thiophenone, dihydro-2-methyl- (13679-85-1) |
Safety information for Dihydro-2-methyl-3(2H)-thiophenone
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Dihydro-2-methyl-3(2H)-thiophenone
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