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2530-10-1

Basic Information
CAS No.: 2530-10-1
Name: 3-Acetyl-2,5-dimethylthiophene
Article Data: 20
Molecular Structure:
Molecular Structure of 2530-10-1 (3-Acetyl-2,5-dimethylthiophene)
Formula: C8H10OS
Molecular Weight: 154.233
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;
EINECS: 219-779-5
Density: 1.078 g/cm3
Boiling Point: 223.1 °C at 760 mmHg
Flash Point: 98.9 °C
Solubility: Soluble in alcohol. Insoluble in water.
Appearance: Clear colourless to orange liquid
Risk Codes: 36/37/38
Safety: 24/25
PSA: 45.31000
LogP: 2.56750
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  • 2530-10-1           C8H10OS            3-Acetyl-2,5-dimethylthiophene

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Chemistry

Molecular Structure of 3-Acetyl-2,5-dimethylthiophene (CAS NO.2530-10-1):

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

Uses

 3-Acetyl-2,5-dimethylthiophene (CAS NO.2530-10-1) can be used as pharmaceutical intermediate.

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.

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

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

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 .