4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone supplier

Name
Ethanone, 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)- (9CI)
EINECS
CAS No. 1500-91-0
Density 1.003g/cm³
Solubility
Melting Point
Formula C10H15 N O
Boiling Point 288.3°Cat760mmHg
Molecular Weight 165.235
Flash Point 135.8°C
Transport Information
Appearance
Safety Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ketone,4-ethyl-3,5-dimethylpyrrol-2-yl methyl (6CI,7CI,8CI);2-Acetyl-4-ethyl-3,5-dimethylpyrrole; 4-Ethyl-3,5-dimethylpyrrol-2-yl methylketone
PSA 32.86000
LogP 2.39650

4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone Chemical Properties

Product Name: 4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone (CAS NO.1500-91-0)

Molecular Formula: C₁₀H₁₅NO
Molecular Weight: 165.2322g/mol
Mol File: 1500-91-0.mol
Boiling point: 288.3 °C at 760 mmHg
Flash Point: 135.8 °C
Density: 1.003 g/cm³
Surface Tension: 36.2 dyne/cm
Enthalpy of Vaporization: 52.76 kJ/mol
Vapour Pressure: 0.00235 mmHg at 25°C
XLogP3-AA: 2.3
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of 4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone (CAS NO.1500-91-0):
IUPAC Name: 1-(4-Ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone
Canonical SMILES: CCC1=C(NC(=C1C)C(=O)C)C
InChI: InChI=1S/C10H15NO/c1-5-9-6(2)10(8(4)12)11-7(9)3/h11H,5H2,1-4H3
InChIKey: SUAXMKRXTCGJJD-UHFFFAOYSA-N
Product Categories: PYRROLE

4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	767mg/kg (767mg/kg)	BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Journal of Medicinal Chemistry. Vol. 11, Pg. 1251, 1968.
rat	LD50	intraperitoneal	400mg/kg (400mg/kg)	BEHAVIORAL: ANTICONVULSANT BEHAVIORAL: SLEEP BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Journal of Medicinal Chemistry. Vol. 11, Pg. 1251, 1968.

4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone Safety Profile

Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NO_x.

4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone Specification

4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone , its CAS NO. is 1500-91-0, the synonyms are 2-Acetyl-3,5-dimethyl-4-ethyl-pyrrole ; 5-21-07-00264 (Beilstein Handbook Reference) ; BRN 0123442 ; Ketone, 4-ethyl-3,5-dimethylpyrrol-2-yl methyl .

Product Name

Ethanone, 1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)- (9CI)

4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone Chemical Properties

4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone Toxicity Data With Reference

4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone Safety Profile

4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone Standards and Recommendations

4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone Specification

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