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Compound Summary

General Compound Information

3-sec-butyl-2-methoxypyrazine

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Description

Volatile component of many vegetables, e.g. asparagus, carrot, celery, cucumber, parsnip, bell peppers and pea, also in ginger, galbanum oil and white wine. Flavouring ingredient. 2-Methoxy-3-(1-methylpropyl)pyrazine is found in many foods, some of which are yellow bell pepper, green vegetables, fenugreek, and herbs and spices.

Synonyms

24168-70-5; 2-sec-Butyl-3-methoxypyrazine; 2-(sec-Butyl)-3-methoxypyrazine; 2-Methoxy-3-(1-methylpropyl)pyrazine; 2-Methoxy-3-sec-butylpyrazine;

3-sec-Butyl-2-methoxypyrazine;2-butan-2-yl-3-methoxypyrazine;Pyrazine, 2-methoxy-3-(1-methylpropyl)-;FEMA No. 3433;Pyrazine, 2-sec-butyl-3-methoxy-;2-s-butyl-3-methoxypyrazine;62UR370ONE;DTXSID0047082;Pyrazine, 2-methoxy, 3-sec-butyl;2-Methoxy-3-sec-butyl pyrazine;MFCD00006136;2-Methoxy-3-(1-methyl-propyl) pyrazine;Pyrazine, 3-methoxy-2-(1-methylpropyl);UNII-62UR370ONE;asparagus pyrazine;EINECS 246-050-9;CHEMBL94514;SCHEMBL424900;2-Methoxy-3-Secbutyl Pyrazine;2-sec-Butyl-3-methoxy-pyrazine;DTXCID8027082;FEMA 3433;QMQDJVIJVPEQHE-UHFFFAOYSA-;CHEBI:190129;2-(butan-2-yl)-3-methoxypyrazine;Tox21_301823;AC1469;2-Sec-Butyl-3-methoxypyrazine, 8CI;2-sec-Butyl-3-methoxypyrazine, 99%;AKOS003381940;AKOS016843169;CS-W017856;HY-W017140;2-methoxy-3-(1-methylpropyl) pyrazine;2-methoxy-3-(1-methylpropyl)-pyrazine;NCGC00256160-01;AC-11164;DS-16595;SY015398;CAS-24168-70-5;DB-003286;B2959;FT-0612787;2-Methoxy-3-(1-methylpropyl)pyrazine, >=98%, FG;(+/-)-2-METHOXY-3-(1-METHYLPROPYL)PYRAZINE;2-METHOXY-3-(1-METHYLPROPYL)PYRAZINE [FHFI];Q15635537;

FlavorDB ID

2958

PUBCHEM ID

Molecular Weight

166.22 Molecular Formula

C9H14N2O

Openeye Can Smiles

CCC(C)C1=NC=CN=C1OC

IUPAC Inchikey

QMQDJVIJVPEQHE-UHFFFAOYSA-N

Network

Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	pea-like	1.805e-8 µmol/L	maillard product	details

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Food Additive Safety (OFAS)
2-METHOXY-3-(1-METHYLPROPYL)PYRAZINE is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: 2-(sec-Butyl)-3-methoxypyrazine

Reference point : Defined point on an experimental dose–response relationship for the critical effect. This term is synonymous to Point of departure (USA). Reference points include the lowest or no observed adverse effect level (LOAEL/NOAEL) or benchmark dose lower confidence limit (BDML), used to derive a reference value or Margin of Exposure in human and animal health risk assessment. In the ecological area, these include lethal dose (LD50), effect concentration (EC5/ECx), no (adverse) effect concentration/dose (NOEC/NOAEC/NOAED), no (adverse) effect level (NEL/NOAEL), hazard concentration (HC5/HCx) derived from a Species Sensitivity Distributions (SSD) for the ecosystem (EFSA Scientific Committee,2018). Citation: DOI 10.5281/zenodo.4740174

Output ID	SPECIES	Route	Duration Days	END POINT	QUALIFIER	VALUE	UNIT	EFFECT	Toxicity
2919	Earthworm	Not reported		LC50	=	235	mg/kg	mortality
2919	Daphnia magna	Not reported		LC50	=	14	mg/L	mortality

Reference Value

Reference Value : The estimated maximum dose (on a body mass basis) or the concentration of an agent to which an individual may be exposed over a specified period without appreciable risk. Reference values are established by applying an uncertainty factor to the reference point. Examples of reference values in human health include acceptable daily intake (ADI) for food and feed additives, and pesticides, tolerable upper intake levels (UL) for vitamins and minerals, and tolerable daily intake (TDI) for contaminants and food contact materials. For acute effects and operators, the acute reference dose (ARfD) and the acceptable operator exposure level (AOEL). In animal health and the ecological area, these include safe feed concentrations and the Predicted no effect concentration (PNEC) respectively (EFSA Scientific Committee, 2018). Citation: DOI 10.5281/zenodo.4740174

OUTPUT ID	ASSESSMENT	QUALIFIER	VALUE	UNIT	POPULATION
2242	TTC Cramer Class II	=	9	µg/kg bw/day	Consumers
2075	TTC Cramer Class II	=	9	µg/kg bw/day	Consumers
2919	MSI/FC	=	0.3	mg/kg	Pigs
2919	MSI/FC	=	0.3	mg/kg	Poultry
2919	MSI/FC	=	0.5	mg/kg	Animal not used for food production - unspecified
2919	MSI/FC	=	0.5	mg/kg	Cattle
2919	MSI/FC	=	0.5	mg/kg	Salmons
2919	PNEC	=	14	µg/L	Aquatic compartment
2919	PNEC	=	235	µg/kg	Soil compartment

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA AFC	2008	2242	Negative
EFSA CEF	2011	2075	Negative
EFSA FEEDAP	2017	2919	Not determined

EFSA Outputs

Output ID	Title	DOI	Published
2075	Scientific Opinion on Flavouring Group Evaluation 50, Revision 1 (FGE.50Rev1): Consideration of pyrazine derivatives evaluated by JECFA (57th meeting) structurally related to pyrazine derivatives evaluated by EFSA in FGE.17Rev2 (2010). EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)	doi:10.2903/j.efsa.2011.1921	06May2011
2242	Flavouring Group Evaluation 50 (FGE.50): Consideration of pyrazine derivatives evaluated by JECFA (57th meeting) structurally related to pyrazine derivatives evaluated by EFSA in FGE.17 (2005)	doi:10.2903/j.efsa.2008.636	07Mar2008
2919	Safety and efficacy of pyrazine derivatives including saturated ones belonging to chemical group 24 when used as flavourings for all animal species	doi:10.2903/j.efsa.2017.4671	03Feb2017

Receptors

Receptor information of this compound is not available!

GC-MS Consensus Spectra

GC-MS Consensus Spectra information of this compound is not available!

Content

Compound Summary

3-sec-butyl-2-methoxypyrazine

Description

Synonyms

24168-70-5; 2-sec-Butyl-3-methoxypyrazine; 2-(sec-Butyl)-3-methoxypyrazine; 2-Methoxy-3-(1-methylpropyl)pyrazine; 2-Methoxy-3-sec-butylpyrazine;

FlavorDB ID

2958

PUBCHEM ID

520098

Molecular Weight

166.22

Molecular Formula

C9H14N2O

Openeye Can Smiles

CCC(C)C1=NC=CN=C1OC

IUPAC Inchikey

QMQDJVIJVPEQHE-UHFFFAOYSA-N

Network

Shown in network

Similarity

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Content

Compound Summary

3-sec-butyl-2-methoxypyrazine

Description

Synonyms

24168-70-5; 2-sec-Butyl-3-methoxypyrazine; 2-(sec-Butyl)-3-methoxypyrazine; 2-Methoxy-3-(1-methylpropyl)pyrazine; 2-Methoxy-3-sec-butylpyrazine;

FlavorDB ID

2958

PUBCHEM ID

520098

Molecular Weight

166.22

Molecular Formula

C9H14N2O

Openeye Can Smiles

CCC(C)C1=NC=CN=C1OC

IUPAC Inchikey

QMQDJVIJVPEQHE-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

OpenFoodTox: component 2-(sec-Butyl)-3-methoxypyrazine