2-sec-Butyl-3-methoxypyrazine - CAS 24168-70-5
Catalog: |
BB018350 |
Product Name: |
2-sec-Butyl-3-methoxypyrazine |
CAS: |
24168-70-5 |
Synonyms: |
2-butan-2-yl-3-methoxypyrazine |
IUPAC Name: | 2-butan-2-yl-3-methoxypyrazine |
Description: | A compound contents in musts and wines from Vitis vinifera variety Cabernet Sauvignon. |
Molecular Weight: | 166.22 |
Molecular Formula: | C9H14N2O |
Canonical SMILES: | CCC(C)C1=NC=CN=C1OC |
InChI: | InChI=1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3 |
InChI Key: | QMQDJVIJVPEQHE-UHFFFAOYSA-N |
Boiling Point: | 50 °C / 1 mmHg (lit.) |
Melting Point: | 92-94°C |
Flash Point: | 77°C |
Density: | 0.99 g/cm3 |
Solubility: | water, 229.6 mg/L @ 25 °C (est) |
Appearance: | Colorless liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00006136 |
LogP: | 1.99870 |
Refractive Index: | n20/D 1.492(lit.) |
Stability: | Stable at room temperature in closed containers under normal storage and handling conditions. |
GHS Hazard Statement: | H302 (100%): 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-111929376-A | Method for detecting methoxyl pyrazine compounds in wine | 20200723 |
DE-102020105765-A1 | Fermentation gas condensation | 20200304 |
EP-3875569-A1 | Fermentation gas condensation | 20200304 |
CN-110938492-A | Red ginseng essence and preparation method thereof | 20191211 |
CN-110632207-A | Method for identifying mold based on volatile gas components and evolution trend thereof | 20191010 |
PMID | Publication Date | Title | Journal |
21227432 | 20110211 | Development of a mixed-mode solid phase extraction method and further gas chromatography mass spectrometry for the analysis of 3-alkyl-2-methoxypyrazines in wine | Journal of chromatography. A |
19807097 | 20091028 | Survey of 3-alkyl-2-methoxypyrazine content of South African Sauvignon blanc wines using a novel LC-APCI-MS/MS method | Journal of agricultural and food chemistry |
19807161 | 20091014 | Characterization of the key aroma compounds in beef and pork vegetable gravies á la chef by application of the aroma extract dilution analysis | Journal of agricultural and food chemistry |
19432423 | 20090610 | Effect of closure and packaging type on 3-alkyl-2-methoxypyrazines and other impact odorants of Riesling and Cabernet Franc wines | Journal of agricultural and food chemistry |
19021793 | 20081101 | Characterization of alkylmethoxypyrazines contributing to earthy/bell pepper flavor in farmstead cheddar cheese | Journal of food science |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.110613074 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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