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Cas Database |
| Name |
3-Acetyl-2,5-dimethylthiophene |
EINECS | 219-779-5 |
| CAS No. | 2530-10-1 | Density | 1.078 g/cm3 |
| PSA | 45.31000 | LogP | 2.56750 |
| Solubility | Soluble in alcohol. Insoluble in water. | Melting Point |
N/A |
| Formula | C8H10OS | Boiling Point | 223.1 °C at 760 mmHg |
| Molecular Weight | 154.233 | Flash Point | 98.9 °C |
| Transport Information | N/A | Appearance | Clear colourless to orange liquid |
| Safety | 24/25 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ketone,2,5-dimethyl-3-thienyl methyl (6CI,7CI,8CI);1-(2,5-Dimethyl-3-thienyl)ethanone;2,5-Dimethyl-3-acetylthiophene;3-Acetyl-2.5-dimethylthienyl; |
Article Data | 20 |
3-Acetyl-2,5-dimethylthiophene Chemical Properties
Molecular Structure of 3-Acetyl-2,5-dimethylthiophene (CAS NO.2530-10-1):
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IUPAC Name: 1-(2,5-Dimethylthiophen-3-yl)ethanone
Molecular Formula: C8H10OS
Molecular Weight: 154.22
EINECS: 219-779-5
FEMA: 3527
Index of Refraction: 1.532
Molar Refractivity: 44.31 cm3
Molar Volume: 142.9 cm3
Surface Tension: 36.2 dyne/cm
Density: 1.078 g/cm3
Flash Point: 98.9 °C
Enthalpy of Vaporization: 45.95 kJ/mol
Boiling Point: 223.1 °C at 760 mmHg
Vapour Pressure: 0.0982 mmHg at 25 °C
Appearance: Colourless liquid; burnt-roasted, nutty odour
Classification Code: Drug / Therapeutic Agent
Canonical SMILES: CC1=CC(=C(S1)C)C(=O)C
InChI: InChI=1S/C8H10OS/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3
InChIKey: PUSJAEJRDNPYKM-UHFFFAOYSA-N
Product Categories: Heterocyclic Compounds; thiophene Flavor; A-B; Alphabetical Listings; Flavors and Fragrances; Building Blocks; Heterocyclic Building Blocks; Thiophenes
3-Acetyl-2,5-dimethylthiophene Uses
3-Acetyl-2,5-dimethylthiophene (CAS NO.2530-10-1) can be used as pharmaceutical intermediate.
3-Acetyl-2,5-dimethylthiophene Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 260mg/kg (260mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Annales Pharmaceutiques Francaises. Vol. 5, Pg. 16, 1947. |
3-Acetyl-2,5-dimethylthiophene Safety Profile
A poison by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of SOx .
Safety Information of 3-Acetyl-2,5-dimethylthiophene (CAS NO.2530-10-1):
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: OB2888000
3-Acetyl-2,5-dimethylthiophene Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
3-Acetyl-2,5-dimethylthiophene Specification
3-Acetyl-2,5-dimethylthiophene (CAS NO.2530-10-1), its Synonyms are 1-(2,5-Dimethyl-3-thienyl)ethanone ; 2,5-Dimethyl-3-acetylthiophene ; 2,5-Dimethyl-3-thienyl methyl ketone ; Dimethylthienylcetone ; Ethanone, 1-(2,5-dimethyl-3-thienyl)- ; Ketone, 2,5-dimethyl-3-thienyl methyl .
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