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| Name |
4-Ethyl-3,5-dimethylpyrrol-2-yl methyl ketone |
EINECS | N/A |
| CAS No. | 1500-91-0 | Density | 1.003g/cm3 |
| PSA | 32.86000 | LogP | 2.39650 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H15 N O | Boiling Point | 288.3°Cat760mmHg |
| Molecular Weight | 165.235 | Flash Point | 135.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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 |
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 NOx.
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 .
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