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Compound Summary

General Compound Information

3-isobutyl-2-methoxypyrazine

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Description

Occurs in petitgrain and galbanum oils, potent bell-pepper component. Fragrance and flavouring ingredient with powerful earthy flavour. 2-Methoxy-3-(2-methylpropyl)pyrazine is found in many foods, some of which are pepper (c. frutescens), pepper (c. annuum), green bell pepper, and orange bell pepper.

Synonyms

2-ISOBUTYL-3-METHOXYPYRAZINE; 24683-00-9; 3-Isobutyl-2-methoxypyrazine; 2-Methoxy-3-(2-methylpropyl)pyrazine; 2-Methoxy-3-isobutylpyrazine;

2-methoxy-3-isobutyl pyrazine;1dzk;Pyrazine, 2-methoxy-3-(2-methylpropyl)-;FEMA No. 3132;IBMP;Pyrazine, 2-isobutyl-3-methoxy-;3-methoxy-2-isobutylpyrazine;DTXSID9051907;Pyrazine, 2-isobutyl-3-methoxy;Pyrazine, 2-methoxy, 3-isobutyl;S327O0T12O;2-Methoxy-3-(2-methyl-propyl) pyrazine;Pyrazine, 2-(2-methylpropyl)-3-methoxy;Pyrazine, 3-methoxy-2-(2-methylpropyl);PRZ;2-Isobutyl-3-methoxypyrazine 100 microg/mL in Methanol;Galbazine;UNII-S327O0T12O;2-Isobutyl-3-methoxy-pyrazine;2nnd;EINECS 246-402-1;1qy1;CHEMBL97355;SCHEMBL113424;2-isobutyl-3-methoxy pyrazine;3-iso butyl-2-methoxypyrazine;DTXCID4030469;BDBM12031;FEMA 3132;UXFSPRAGHGMRSQ-UHFFFAOYSA-;ZINC156517;2-Isobutyl-3-methoxypyrazine, 8CI;Tox21_303996;2-Isobutyl-3-methoxypyrazine, 99%;MFCD00006128;AKOS015837530;CS-W017857;DB04512;DS-4663;HY-W017141;2-methoxy-3-(2-methylpropyl)-pyrazine;NCGC00357216-01;CAS-24683-00-9;DB-021268;2-ISOBUTYL-3-METHOXYPYRAZINE [FHFI];2-Isobutyl-3-methoxypyrazine, >=99%, FG;FT-0612692;I0331;2-Isobutyl-3-methoxypyrazine, analytical standard;A817435;Q-100308;Q-100318;Q15633924;

FlavorDB ID

2962

PUBCHEM ID

Molecular Weight

166.22 Molecular Formula

C9H14N2O

Openeye Can Smiles

CC(C)CC1=NC=CN=C1OC

IUPAC Inchikey

UXFSPRAGHGMRSQ-UHFFFAOYSA-N

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Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	earthy	1.702e-8 µmol/L	coffee	details
smell	pea-like	1.805e-8 µmol/L	maillard-product	details
smell	bell pepper-like	3.730e-5 µmol/L		details
smell	bell pepper-like	2.286e-4 µmol/L		details
smell	bell pepper-like	3.730e-5 µmol/L	jackfruit pulp	details
smell	bell pepper-like	3.730e-5 µmol/L	cempedak	details
smell	bell pepper-like	3.730e-5 µmol/L	green tea	details
smell	vegetable		water	details
smell	vegetable	6.020e-6 µmol/L	water	details

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

Food Additive Safety (OFAS)
2-ISOBUTYL-3-METHOXYPYRAZINE 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-Isobutyl-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

Reference point information of this compound is not available!

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

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	REFERENCE	EC50 [µM]	Effective Concentration [µM]
OR1G1	details	Activated
OR52D1	details	Activated

GC-MS Consensus Spectra

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

Content

Compound Summary

3-isobutyl-2-methoxypyrazine

Description

Synonyms

2-ISOBUTYL-3-METHOXYPYRAZINE; 24683-00-9; 3-Isobutyl-2-methoxypyrazine; 2-Methoxy-3-(2-methylpropyl)pyrazine; 2-Methoxy-3-isobutylpyrazine;

FlavorDB ID

2962

PUBCHEM ID

32594

Molecular Weight

166.22

Molecular Formula

C9H14N2O

Openeye Can Smiles

CC(C)CC1=NC=CN=C1OC

IUPAC Inchikey

UXFSPRAGHGMRSQ-UHFFFAOYSA-N

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Content

Compound Summary

3-isobutyl-2-methoxypyrazine

Description

Synonyms

2-ISOBUTYL-3-METHOXYPYRAZINE; 24683-00-9; 3-Isobutyl-2-methoxypyrazine; 2-Methoxy-3-(2-methylpropyl)pyrazine; 2-Methoxy-3-isobutylpyrazine;

FlavorDB ID

2962

PUBCHEM ID

32594

Molecular Weight

166.22

Molecular Formula

C9H14N2O

Openeye Can Smiles

CC(C)CC1=NC=CN=C1OC

IUPAC Inchikey

UXFSPRAGHGMRSQ-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

Reference Details

OpenFoodTox: component 2-Isobutyl-3-methoxypyrazine

Reference Details

Reference Details