2,3-Diethylpyrazine - CAS 15707-24-1
Catalog: |
BB011290 |
Product Name: |
2,3-Diethylpyrazine |
CAS: |
15707-24-1 |
Synonyms: |
2,3-diethylpyrazine |
IUPAC Name: | 2,3-diethylpyrazine |
Description: | 2,3-Diethylpyrazine (CAS# 15707-24-1) is used in method for preparing coffee extracts for cigarette using aroma backfilling agents. |
Molecular Weight: | 136.19 |
Molecular Formula: | C8H12N2 |
Canonical SMILES: | CCC1=NC=CN=C1CC |
InChI: | InChI=1S/C8H12N2/c1-3-7-8(4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3 |
InChI Key: | GZXXANJCCWGCSV-UHFFFAOYSA-N |
Boiling Point: | 180-182 °C |
Flash Point: | 64°C |
Purity: | > 98.0 % (GC) |
Density: | 0.963 g/cm3 |
Solubility: | water, 4458 mg/L @ 25 °C (est) |
Appearance: | Clear colorless to light yellow liquid |
Storage: | Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00006151 |
LogP: | 1.60140 |
Refractive Index: | 1.499-1.501 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H302 (97.24%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111748413-A | Coffee extract for cigarettes and preparation method and application thereof | 20200813 |
CN-111588067-A | Fragrance base module capable of highlighting baking fragrance characteristics of cigarettes and application of fragrance base module | 20200528 |
CN-111227297-A | Spice composition for blasting beads capable of highlighting baking aroma characteristics of cigarettes, blasting bead aroma base module, blasting beads and cigarettes | 20200325 |
WO-2021150456-A1 | Microencapsulation with plant protein | 20200124 |
CN-110935192-A | Ultrasonic-assisted essence extraction device and process based on powder essence processing | 20191226 |
PMID | Publication Date | Title | Journal |
21456940 | 20110601 | A comprehensive evaluation of the toxicology of cigarette ingredients: heterocyclic nitrogen compounds | Inhalation toxicology |
15140253 | 20040512 | Pyrazine derivatives in cigarette smoke inhibit hamster oviductal functioning | Reproductive biology and endocrinology : RB&E |
14685337 | 20031207 | Thermochemical study of the ethylpyridine and ethylpyrazine isomers | Organic & biomolecular chemistry |
Complexity: | 81.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.100048391 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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