2,3,5-Trimethylpyrazine - CAS 14667-55-1
Catalog: |
BB010113 |
Product Name: |
2,3,5-Trimethylpyrazine |
CAS: |
14667-55-1 |
Synonyms: |
2,3,5-trimethylpyrazine |
IUPAC Name: | 2,3,5-trimethylpyrazine |
Description: | 2,3,5-Trimethylpyrazine (CAS# 14667-55-1) is a key aroma compound of dark chocolates differing in organoleptic properties. |
Molecular Weight: | 122.17 |
Molecular Formula: | C7H10N2 |
Canonical SMILES: | CC1=CN=C(C(=N1)C)C |
InChI: | InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3 |
InChI Key: | IAEGWXHKWJGQAZ-UHFFFAOYSA-N |
Boiling Point: | 171-172 °C |
Flash Point: | 54°C |
Purity: | > 98.0 % (GC) (T) |
Density: | 0.97 g/cm3 |
Appearance: | Clear yellow liquid |
Storage: | Flammables area |
LogP: | 1.40180 |
Refractive Index: | 1.503-1.507 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H226 (99.72%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22988937 | 20120928 | Discovery of tetrasubstituted pyrazines as semiochemicals in a sexually deceptive orchid | Journal of natural products |
22972787 | 20120901 | Characterization of cocoa liquors by GC-MS and LC-MS/MS: focus on alkylpyrazines and flavanols | Journal of mass spectrometry : JMS |
22463717 | 20120509 | Impact of the N-terminal amino acid on the formation of pyrazines from peptides in Maillard model systems | Journal of agricultural and food chemistry |
22541463 | 20120501 | Short communication: Evidence for methylglyoxal-mediated browning of Parmesan cheese during low temperature storage | Journal of dairy science |
22384952 | 20120301 | Rapid discrimination and characterization of vanilla bean extracts by attenuated total reflection infrared spectroscopy and selected ion flow tube mass spectrometry | Journal of food science |
Complexity: | 92.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.084398327 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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