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13925-07-0

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Basic Information
CAS No.: 13925-07-0
Name: 3,5-Dimethyl-2-ethylpyrazine
Article Data: 15
Molecular Structure:
Molecular Structure of 13925-07-0 (3,5-Dimethyl-2-ethylpyrazine)
Formula: C8H12N2
Molecular Weight: 136.197
Synonyms: 2,6-Dimethyl-3-ethylpyrazine;3-Ethyl-2,6-dimethylpyrazine;Pyrazine, 2-ethyl-3,5-dimethyl-;
EINECS: 237-694-1
Density: 0.964 g/cm3
Melting Point: 64-66 °C
Boiling Point: 188.755 °C at 760 mmHg
Flash Point: 69.444 °C
Solubility: Not miscible or difficult to mix in water. Soluble in alcohol, chloroform and dichloromethane.
Appearance: Yellow oil
Risk Codes: R22; R36/37/38
PSA: 25.78000
LogP: 1.65580
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Chemistry

Molecular Structure of 3,5-Dimethyl-2-ethylpyrazine (CAS NO.13925-07-0):

IUPAC Name: 2-Ethyl-3,5-dimethylpyrazine
Canonical SMILES: CCC1=NC=C(N=C1C)C
InChI: InChI=1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3
InChIKey: JZBCTZLGKSYRSF-UHFFFAOYSA-N
Molecular Weight: 136.19428 [g/mol]
Molecular Formula: C8H12N2
XLogP3: 1.5
H-Bond Donor: 0
H-Bond Acceptor: 2 
EINECS: 237-694-1 
FEMA: 3150
refractive index: 1.5015 
Index of Refraction: 1.501
Molar Refractivity: 41.63 cm3
Molar Volume: 141.2 cm3
Surface Tension: 36.6 dyne/cm
Density: 0.964 g/cm3
Flash Point: 69.4 °C
Enthalpy of Vaporization: 40.76 kJ/mol
Boiling Point: 188.8 °C at 760 mmHg
Vapour Pressure: 0.814 mmHg at 25 °C
Appearance: Yellow Oil
Product Categories: Heterocyclic Compounds; Heterocycles

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 456mg/kg (456mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Specification

  3,5-Dimethyl-2-ethylpyrazine (CAS NO.13925-07-0), its Synonyms are 2,6-Dimethyl-3-ethylpyrazine ; 2-Ethyl-3,5-dimethyl pyrazine ; 2-Ethyl-3,5-dimethylpyrazine ; 3-Ethyl-2,6-dimethylpyrazine ; Pyrazine, 2,6-dimethyl-3-ethyl- ; Pyrazine, 2-ethyl-3,5-dimethyl- .