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Key Documents

Safety Information

W320803

Sigma-Aldrich

(Methylthio)methylpyrazine

mixture of isomers, ≥98%, FG

Synonym(s):

Popcorn thiopyrazine

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About This Item

Empirical Formula (Hill Notation):
C6H8N2S
CAS Number:
Molecular Weight:
140.21
FEMA Number:
3208
EC Number:
Council of Europe no.:
2290
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
14.035
NACRES:
NA.21
Organoleptic:
cocoa; coffee; hazelnut; roasted
grade:
FG
Fragrance grade
Halal
Kosher
biological source:
synthetic
Agency:
follows IFRA guidelines
food allergen:
no known allergens

biological source

synthetic

Quality Level

grade

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 872/2012

Assay

≥98%

refractive index

n20/D 1.583 (lit.)

density

1.145 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

cocoa; coffee; hazelnut; roasted

SMILES string

CSc1cnc(C)cn1.CSc2nccnc2C

InChI

1S/2C6H8N2S/c1-5-3-8-6(9-2)4-7-5;1-5-6(9-2)8-4-3-7-5/h2*3-4H,1-2H3

InChI key

PYWKOMLPQRZQSD-UHFFFAOYSA-N

General description

(Methylthio)methylpyrazine (mixture of isomers) are pyrazine compounds that are mainly formed in food products by Maillard reaction between sugars and proteins during cooking or roasting. It occurs naturally in tobacco.

Biochem/physiol Actions

Taste at 3-10 ppm

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Flash Point(F)

192.2 °F

Flash Point(C)

89 °C


Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

W320803-1KG:
W320803-SAMPLE-K:
W320803-25G:
W320803-25G-K:
W320803-BULK-K:
W320803-1KG-K:4548173975962
W320803-100G:
W320803-100G-K:4548173975955
W320803-SAMPLE:
W320803-VAR-K:


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Flavours and Fragrances (1997)
The Chemical Components of Tobacco and Tobacco Smoke (2016)
Mosciano, G.
Perfumer & Flavorist, 25, 52-52 (2000)

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