2,3-Diethyl-5-methylpyrazine - CAS 18138-04-0
Catalog: |
BB013809 |
Product Name: |
2,3-Diethyl-5-methylpyrazine |
CAS: |
18138-04-0 |
Synonyms: |
2,3-diethyl-5-methylpyrazine |
IUPAC Name: | 2,3-diethyl-5-methylpyrazine |
Description: | 2,3-Diethyl-5-methylpyrazine (CAS# 18138-04-0) is a volatile compound found in food such as almonds and swiss cheese. |
Molecular Weight: | 150.22 |
Molecular Formula: | C9H14N2 |
Canonical SMILES: | CCC1=NC=C(N=C1CC)C |
InChI: | InChI=1S/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3 |
InChI Key: | PSINWXIDJYEXLO-UHFFFAOYSA-N |
Boiling Point: | 95 °C (20 mmHg) |
Purity: | > 97.0 % (GC) |
Density: | 0.949 g/cm3 |
Appearance: | Clear light yellow liquid |
Storage: | Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00009635 |
LogP: | 1.90980 |
GHS Hazard Statement: | H302 (94.49%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22417522 | 20110801 | Identification of tartary buckwheat tea aroma compounds with gas chromatography-mass spectrometry | Journal of food science |
21524656 | 20110701 | Phorid fly, Pseudacteon tricuspis, response to alkylpyrazine analogs of a fire ant, Solenopsis invicta, alarm pheromone | Journal of insect physiology |
20492142 | 20100101 | Alkylpyrazines and other volatiles in cocoa liquors at pH 5 to 8, by Selected Ion Flow Tube-Mass Spectrometry (SIFT-MS) | Journal of food science |
16076130 | 20050810 | Identification of potent odorants formed during the preparation of extruded potato snacks | Journal of agricultural and food chemistry |
12236694 | 20020925 | Identification of potent odorants in different green tea varieties using flavor dilution technique | Journal of agricultural and food chemistry |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.115698455 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.115698455 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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