2-Methoxypyrazine - CAS 3149-28-8

Catalog:	BB020942
Product Name:	2-Methoxypyrazine
CAS:	3149-28-8
Synonyms:	2-methoxypyrazine

Technical Data

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Computed Properties

IUPAC Name:	2-methoxypyrazine
Description:	2-Methoxypyrazine (CAS# 3149-28-8) is a useful research chemical.
Molecular Weight:	110.11
Molecular Formula:	C5H6N2O
Canonical SMILES:	COC1=NC=CN=C1
InChI:	InChI=1S/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3
InChI Key:	WKSXRWSOSLGSTN-UHFFFAOYSA-N
Boiling Point:	60-61 °C (29 mmHg)
Purity:	95+ %
Density:	1.14 g/cm³
Appearance:	Colourless to light yellow liquid with a nutty, Cocoa-like odour
MDL:	MFCD00006126
LogP:	0.48520

Publication Number	Title	Priority Date
CN-113292561-A	Compound with dipyrrolopyridine structure, preparation method and medical application	20210522
CN-113215861-A	Baked sweet and fragrant cigarette paper and preparation method thereof	20210428
US-11033516-B1	Combination therapies with disulfiram	20200918
US-11065214-B1	Combination therapies with disulfiram	20200918
CN-111929376-A	Method for detecting methoxyl pyrazine compounds in wine	20200723

PMID	Publication Date	Title	Journal
22946638	20120919	Classification of grape berries according to diameter and total soluble solids to study the effect of light and temperature on methoxypyrazine, glutathione, and hydroxycinnamate evolution during ripening of Sauvignon blanc (Vitis vinifera L.)	Journal of agricultural and food chemistry
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
16136833	20050601	Aroma composition of red wines by different extraction methods and Gas Chromatography-SIM/MASS spectrometry analysis	Annali di chimica
12236686	20020925	How low pH can intensify beta-damascenone and dimethyl trisulfide production through beer aging	Journal of agricultural and food chemistry
11388455	20010401	S-Adenosyl-L-methionine-dependent O-methylation of 2-hydroxy-3-alkylpyrazine in wine grapes: a putative final step of methoxypyrazine biosynthesis	Bioscience, biotechnology, and biochemistry

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GHS Hazard Statement:	H302 (98.88%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	67.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.048012819
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	110.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	35 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7