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Compound Summary

General Compound Information

3-isopropyl-2-methoxypyrazine

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Description

Occurs in petitgrain and galbanum oil. Perfumery and flavouring ingredient. Associated with musty/earthy aromas of marine fish, cheeses, drinking water and a wide range of vegetables. Component of FEMA 3358. 2-Isopropyl-3-methoxypyrazine is found in many foods, some of which are red bell pepper, green bell pepper, fishes, and pepper (c. annuum).

Synonyms

2-ISOPROPYL-3-METHOXYPYRAZINE; 25773-40-4; 2-Methoxy-3-isopropylpyrazine; 2-methoxy-3-propan-2-ylpyrazine; Pyrazine, 2-methoxy-3-(1-methylethyl)-;

3-isopropyl-2-methoxypyrazine;bean pyrazine;Pyrazine, methoxy(1-methylethyl)-;1FL7L111A6;2-methoxy-3-(propan-2-yl)pyrazine;UNII-1FL7L111A6;2-Methoxy-3-isopropyl pyrazine;EINECS 247-256-1;Isopropylmethoxypyrazine;Isopropyl methylpyrazine;1qy2;Isopropyl methoxy pyrazine;Click) IUPAC Name :2;UNII-C90S36R5GY;CHEMBL96852;SCHEMBL111252;FEMA No. 3358;C90S36R5GY;DTXSID4067147;BDBM12030;NTOPKICPEQUPPH-UHFFFAOYSA-;ZINC156526;2-methoxy-3-propan-2-yl-pyrazine;EINECS 299-837-4;GS2586;MFCD00006135;2-Isopropyl-3-methoxypyrazine, 97%;2-methoxy-3-(1-methylethyl)pyrazine;3-METHOXY-2-ISOPROPYLPYRAZINE;AKOS015851854;CS-W013294;DB01760;DS-4678;FEMA NO. 3358, 3-METHOXY-;2-Isopropyl-(3,5 or 6)-methoxypyrazine;PYRAZINE, 2-ISOPROPYL-3-METHOXY-;2-Isopropyl-3-methoxypyrazine, 99%, FG;DB-021269;FT-0612705;I0577;D70658;A818004;Q424957;W-107219;2-Isopropyl-3-methoxypyrazine 100 microg/mL in Methanol;

FlavorDB ID

2472

PUBCHEM ID

Molecular Weight

152.19 Molecular Formula

C8H12N2O

Openeye Can Smiles

CC(C)C1=NC=CN=C1OC

IUPAC Inchikey

NTOPKICPEQUPPH-UHFFFAOYSA-N

Network

Similarity

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	earthy, roasty	4.646e-9 µmol/L	coffee	details
smell	pea-like	1.314e-8 µmol/L		details
smell	earthy, pea-like	2.563e-5 µmol/L		details
smell	earthy, pea-like	8.542e-5 µmol/L		details
smell	earthy, pea-like	3.548e-5 µmol/L	red wine	details
smell	vegetable to decaying		water	details
smell	vegetable to decaying	1.315e-6 µmol/L	water	details

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

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: 2-Isopropyl-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
2118	TTC Cramer Class II	=	9	µg/kg bw/day	Consumers

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA CEF	2011	2118	Not determined

EFSA Outputs

Output ID	Title	DOI	Published
2118	Scientific Opinion on Flavouring Group Evaluation 17, Revision 3 (FGE.17Rev3): Pyrazine derivatives from chemical group 24	doi:10.2903/j.efsa.2011.2456	29Nov2011

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-isopropyl-2-methoxypyrazine

Description

Synonyms

2-ISOPROPYL-3-METHOXYPYRAZINE; 25773-40-4; 2-Methoxy-3-isopropylpyrazine; 2-methoxy-3-propan-2-ylpyrazine; Pyrazine, 2-methoxy-3-(1-methylethyl)-;

FlavorDB ID

2472

PUBCHEM ID

33166

Molecular Weight

152.19

Molecular Formula

C8H12N2O

Openeye Can Smiles

CC(C)C1=NC=CN=C1OC

IUPAC Inchikey

NTOPKICPEQUPPH-UHFFFAOYSA-N

Network

Shown in network

Similarity

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Content

Compound Summary

3-isopropyl-2-methoxypyrazine

Description

Synonyms

2-ISOPROPYL-3-METHOXYPYRAZINE; 25773-40-4; 2-Methoxy-3-isopropylpyrazine; 2-methoxy-3-propan-2-ylpyrazine; Pyrazine, 2-methoxy-3-(1-methylethyl)-;

FlavorDB ID

2472

PUBCHEM ID

33166

Molecular Weight

152.19

Molecular Formula

C8H12N2O

Openeye Can Smiles

CC(C)C1=NC=CN=C1OC

IUPAC Inchikey

NTOPKICPEQUPPH-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

OpenFoodTox: component 2-Isopropyl-3-methoxypyrazine