2-methyl-3-(methyl thio) pyrazine-Spice database

2D:
3D:
CAS Number:	2882-20-4
ECHA EC Number:	220-736-8
FDA UNII:	KI350CS0LZ
CoE Number:	2290
Category:	flavor and fragrance agents
IUPAC Name:	2-methyl-3-(methyl thio) pyrazine
InChI :	InChI=1/C6H8N2S/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3
Std.InChI:	InChI=1S/C6H8N2S/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3
InChIKey :	PPPFFGVGWFKTHX-UHFFFAOYAP
Std.InChIKey:	PPPFFGVGWFKTHX-UHFFFAOYSA-N
SMILES :	CC1=NC=CN=C1SC
MDL:	MFCD00014610
Molar Refractivity :	39.61 ± 0.4 cm3 (est)
Parachor :	325.4 ± 6.0 cm3 (est)
Index of Refraction :	1.562 ± 0.03 (est)
Surface Tension :	50.4 ± 5.0 dyne/cm (est)
Density :	1.14 ± 0.1 g/cm3 (est)
Polarizability :	15.70 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Perfumer and Flavorist:	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search
DG SANTE Food Flavourings:	14.128 2-methylthio-3-methylpyrazine
FEMA Number:	3208 2-methylthio-3-methylpyrazine
FDA:	No longer provide for the use of these seven synthetic flavoring substances

Physical Properties:

Assay:	99.00 to 100.00 sum of isomers
Food Chemicals Codex Listed:	No
Specific Gravity:	1.13300 to 1.15300 @ 25.00 °C.
Pounds per Gallon - (est).:	9.428 to 9.594
Refractive Index:	1.57000 to 1.59000 @ 20.00 °C.
Boiling Point:	85.00 to 87.00 °C. @ 10.00 mm Hg
Boiling Point:	213.00 to 214.00 °C. @ 760.00 mm Hg
Vapor Pressure:	0.163000 mmHg @ 25.00 °C. (est)
Flash Point:	210.00 °F. TCC ( 98.89 °C. )
logP (o/w):	1.810
Soluble in:
	alcohol
	water, 2379 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

roasted meaty-roasted-meaty nutty almond vegetable

Cosmetic Information:

CosIng:	cosmetic data
Cosmetic Uses:	perfuming agents

Suppliers:

Beijing Lys Chemicals

2-Methylthio-3-methylpyrazine

BOC Sciences

For experimental / research use only.

2-Methyl-3-(methylthio)pyrazine

Fleurchem

2-methyl 3-methyl thio pyrazine

Jiangyin Healthway

2-Methylthio-3-methyl pyrazine

New functional food ingredients

Jinan Enlighten Chemical Technology(Wutong Aroma )

2-Methyl-3-methylthio pyrazine, Kosherk

Lluch Essence

PYRAZINE 2-METHYLTHIO-3-METHYL

M&U International

2-METHYLTHIO-3-METHYL PYRAZINE, Kosher

Penta International

2-METHYL-3-(METHYLTHIO) PYRAZINE

Penta International

2-METHYL-3-(METHYLTHIO)PYRAZINE 50% IN TRIACETIN

R C Treatt & Co Ltd

2-Methylthio-3-methylpyrazine single isomer

Santa Cruz Biotechnology

For experimental / research use only.

2-Methyl-3-(methylthio)pyrazine

Sigma-Aldrich: Aldrich

For experimental / research use only.

2-Methyl-3-(methylthio)pyrazine 80%

sds

Sunaux International

2-Methylthio-3-methyl Pyrazine

Synerzine

2-Methylthio-3-Methylpyrazine

(single isomer)

TCI AMERICA

For experimental / research use only.

2-Methyl-3-(methylthio)pyrazine >99.0%(GC)

sds

Tengzhou Jitian Aroma Chemiclal

2-Methylthio -3 -methyl pyrazine

Tengzhou Xiang Yuan Aroma Chemicals

2-Methylthio-3-Methyl Pyrazine

Tianjin Danjun International

2-Methylthio-3-methylpyrazine

Vigon International

Methyl 2-Thio 3-Methyl Pyrazine

WholeChem

2-Methylthio-3(5/6)-methyl pyrazine

Safety Information:

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.

Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 2-methyl-3-(methyl thio) pyrazine usage levels up to:
	0.0200 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.68 (μg/capita/day)
Threshold of Concern:		90 (μg/person/day)
Structure Class:		III
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 4
Click here to view publication 4
		average usual ppm	average maximum ppm
baked goods:		-	4.00000
beverages(nonalcoholic):		-	-
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	2.00000
fruit ices:		-	2.00000
gelatins / puddings:		-	2.00000
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	2.00000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	-
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		-	-
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

Safety References:

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Scientific Opinion on Flavouring Group Evaluation 17, Revision 3 (FGE.17Rev3): Pyrazine derivatives from chemical group 24
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):2882-20-4

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :76152

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:3

2-methyl-3-methylsulfanylpyrazine

Chemidplus:0002882204

References:

	2-methyl-3-methylsulfanylpyrazine
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	2882-20-4
Pubchem (cid):	76152
Pubchem (sid):	135033166

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
CHEMBL:	View
HMDB (The Human Metabolome Database):	HMDB32384
FooDB:	FDB020200
Export Tariff Code:	2933.99.9700
ChemSpider:	View

Potential Blenders and core components :

For Odor

No odor group found for these

sulfuryl octanoate
FL/FR

sulfuryl butyrate
FL/FR

sulfuryl decanoate
FL/FR

sulfuryl hexanoate
FL/FR

sulfuryl isobutyrate
FL/FR

sulfuryl propionate
FL/FR

alliaceous

dimethyl trisulfide
FL/FR

methyl furfuryl disulfide
FL/FR

burnt

rum ether
FL/FR

buttery

3,4-

hexane dione
FL/FR

camphoreous

butyrophenone
FL/FR

chocolate

chocolate pyrazine A
FL/FR

cocoa hexenal
FL/FR

2,6-

dimethyl pyrazine
FL/FR

2,5-

dimethyl pyrazine
FL/FR

2-

methoxy-3-methyl pyrazine
FL/FR

2,4,5-

trimethyl thiazole
FL/FR

cocoa

2-iso

butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR

coconut

coconut naphthalenone
FL/FR

coffee

coffee difuran
FL/FR

2-

methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR

corn chip

popcorn pyrimidine
FL/FR

earthy

nutty pyrazine
FL/FR

fermented

ethyl crotonate
FL/FR

fruity

nonyl isovalerate
FL/FR

tropical thiazole
FL/FR

tropical trithiane
FL/FR

green

2-

heptyl furan
FL/FR

(E,Z)-2,6-

nonadienal
FL/FR

meaty

meaty dithiane
FL/FR

4-

methyl nonanoic acid
FL/FR

sulfurol
FL/FR

sulfuryl acetate
FL/FR

moldy

strawberry furanone methyl ether
FL/FR

musty

hazelnut pyrazine
FL/FR

nutty

3-

acetyl pyridine
FL/FR

2-

acetyl-3-ethyl pyrazine
FL/FR

2-

acetyl-3-methyl pyrazine
FL/FR

2-

acetyl-3,5-dimethyl pyrazine
FL/FR

2-

acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR

3,6-

cocoa pyrazine
FL/FR

3,5-

cocoa pyrazine
FL/FR

2,3-

dimethyl pyrazine
FL/FR

2-

ethyl pyrazine
FL/FR

2-

ethyl-4-methyl thiazole
FL/FR

filbert heptenone
FL/FR

filbert pyrazine
FL/FR

2-

methyl pyrazine
FL/FR

5-

methyl quinoxaline
FL/FR

2-

methyl-3-ethoxypyrazine
FL/FR

2-

methyl-3-pentenoic acid
FL/FR

nutty quinoxaline
FL/FR

2,3,5-

trimethyl pyrazine
FL/FR

phenolic

2,3-

dimethyl benzofuran
FL/FR

ortho-

guaiacol
FL/FR

4-

vinyl phenol
FL/FR

popcorn

2-

acetyl pyrazine
FL/FR

2-

acetyl pyridine
FL/FR

2-

acetyl thiazole
FL/FR

smoky

bacon fragrance
FR

pyroligneous acids
FL/FR

sulfurous

benzothiazole
FL/FR

ethyl 2-mercaptopropionate
FL/FR

ethyl 3-mercaptopropionate
FL/FR

fish thiol
FL/FR

furfuryl thioacetate
FL/FR

2-

mercaptopropionic acid
FL/FR

4-

methyl 4-mercaptopentan-2-one 1% solution
FL/FR

2-(

methyl thio) phenol
FL/FR

1-

phenethyl mercaptan
FL/FR

tobacco

methyl benzoxole
FL/FR

tonka

whiskey lactone
FL/FR

waxy

butyl laurate
FL/FR

woody

cedrenyl acetate
FR

4-

hydroxybenzaldehyde
FL/FR

2-

methoxy-4-vinyl phenol
FL/FR

For Flavor

No flavor group found for these

4-

acetyl-2-methyl pyrimidine
FL

2-

acetyl-5-methyl pyrazine
FL

2-

acetyl-6-methyl pyrazine
FL

(E)-

aconitic acid
FL

amyl mercaptan
FL

1,2-

butane dithiol
FL

2-iso

butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR

2(4)-iso

butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
FL

2-(2-

butyl)-4,5-dimethyl-3-thiazoline
FL

butyrophenone
FL/FR

chocolate pyrazine A
FL/FR

chocolate pyrazine B
FL

coconut naphthalenone
FL/FR

2,5-

diethyl thiazole
FL

6,7-

dihydro-2,3-dimethyl-5H-cyclopentapyrazine
FL

dihydro-2,4,6-trimethyl-1,3,5(4H)-dithiazine
FL

dimethyl dihydrocyclopentapyrazine
FL

dimethyl tetrasulfide
FL

2,5-

dimethyl thiazole
FL

4,5-

dimethyl-2-ethyl thiazole
FL

2,6-

dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
FL

bis(2,5-

dimethyl-3-furyl) disulfide
FL

(Z+E)-2,5-

dimethyl-3-tetrahydrofuran thiol
FL

(Z+E)-2,5-

dimethyl-3-thioacetoxytetrahydrofuran
FL

2,5-

dimethyl-3-thiofuroyl furan
FL

S-

ethyl 2-acetyl aminoethane thioate
FL

ethyl 3-mercaptopropionate
FL/FR

ethyl dimethyl pyrazine
FL

2-

ethyl-3-methyl thiopyrazine
FL

(Z+E)-5-

ethyl-4-methyl-2-(2-butyl) thiazoline
FL

(Z+E)-5-

ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL

(E,E)-2,4-

heptadien-1-ol
FL

2,4-

heptadien-1-ol
FL

2-

hexyl thiophene
FL

1-(3-

hydroxy-5-methyl-2-thienyl) ethanone
FL

3-

mercapto-3-methyl butyl formate
FL

4-

mercapto-3-methyl-2-butanol
FL

methyl 2-(methyl thio) acetate
FL

4-

methyl 4-mercaptopentan-2-one 1% solution
FL/FR

methyl dihydrofuran thiol
FL

2-

methyl thiazolidine
FL

2-

methyl-1-butane thiol
FL

4-

methyl-2-(methyl thiomethyl)-2-hexenal
FL

2-

methyl-2-thiazoline
FL

2-

methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR

2-

methyl-3-ethoxypyrazine
FL/FR

3-((2-

methyl-3-furyl)thio)-4-heptanone
FL

4-((2-

methyl-3-furyl)thio)-5-nonanone
FL

2-

methyl-3-pentenoic acid
FL/FR

1,9-

nonane dithiol
FL

nonyl isovalerate
FL/FR

peanut dithiazine
FL

1-

phenethyl mercaptan
FL/FR

2-

propionyl pyrrole
FL

iso

propyl disulfide
FL

2-iso

propyl-3-(methyl thio) pyrazine
FL

sulfuryl butyrate
FL/FR

sulfuryl decanoate
FL/FR

sulfuryl hexanoate
FL/FR

sulfuryl isobutyrate
FL/FR

thiazole
FL

3-

thienyl mercaptan
FL

thioacetic acid
FL

3,5-

diisopropyl-1,2,4-trithiolane
FL

3,5-

dimethyl-1,2,4-trithiolane
FL

3,7-

dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL

2,4-

dimethyl-3-oxazoline
FL

4-

mercapto-2-pentanone 1% in acetoin
FL

2-

methyl-1-methyl thio-2-butene
FL

pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL

sulfuryl formate
FL

sulfuryl octanoate
FL/FR

sulfuryl propionate
FL/FR

1-(2-

alliaceous

1,3-

cyclopentyl mercaptan
FL

dimethyl trisulfide
FL/FR

3-

mercapto-2-pentanone
FL

3-

tetrahydrothiophenone
FL

tropical thiazole
FL/FR

bready

2-

propionyl thiazole
FL

burnt

bacon dithiazine
FL

1,6-

hexane dithiol
FL

2-

methyl quinoxaline
FL

rum ether
FL/FR

buttery

3,4-

hexane dione
FL/FR

chemical

2,3-

dimethyl benzofuran
FL/FR

2,5-

dimethyl furan
FL

cocoa

cocoa hexenal
FL/FR

coffee

coffee difuran
FL/FR

2-

ethyl-4-methyl thiazole
FL/FR

methyl furfuryl disulfide
FL/FR

corn

2-

acetyl pyridine
FL/FR

2-

acetyl thiazole
FL/FR

popcorn pyrimidine
FL/FR

creamy

4-

hydroxybenzaldehyde
FL/FR

earthy

difurfuryl sulfide
FL

1,8-

octane dithiol
FL

eggy

iso

propyl mercaptan
FL

fatty

2-

heptyl furan
FL/FR

4-

methyl nonanoic acid
FL/FR

2-

pentyl thiophene
FL

fishy

4,5-

dimethyl thiazole
FL

fruity

2,4-

hexadien-1-ol
FL

tropical trithiane
FL/FR

green

4-

methyl thiazole
FL

(E,Z)-2,6-

nonadienal
FL/FR

4-

penten-1-yl acetate
FL

meaty

4-

allyl-2,6-dimethoxyphenol
FL

benzothiazole
FL/FR

2,6-

dimethyl pyrazine
FL/FR

2,6-

dimethyl thiophenol
FL

2,5-

dimethyl-3-furan thiol
FL

1,1-

ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL

furfuryl 2-methyl-3-furyl disulfide
FL

meaty dithiane
FL/FR

3-

mercapto-2-butanone
FL

(R,S)-2-

mercapto-3-butanol
FL

2-

mercaptomethyl pyrazine
FL

2-

mercaptopropionic acid
FL/FR

2-

methyl 3-(methyl thio) furan
FL

2-(

methyl thio) phenol
FL/FR

methyl thiofuryl butanal
FL

12-

methyl tridecanal
FL

bis(2-

methyl-3-furyl) disulfide
FL

S-(2-

methyl-3-furyl) ethane thioate
FL

2-

Potential Uses:

FL

meat

Occurrence (nature, food, other):

not found in nature

Synonyms:

2-	methyl 3-methyl thio pyrazine
2-	methyl mercapto-3-methyl pyrazine
2-	methyl thio-3-methyl pyrazine
2-(	methyl thio)-3-methyl pyrazine
3-	methyl-2-methyl thiopyrazine
3-	methyl-2-methylthiopyrazine
2-	methyl-3-(methyl thio) pyrazine
2-	methyl-3-(methylmercapto)pyrazine
2-	methyl-3-(methylsulfanyl)pyrazine
2-	methyl-3-(methylthio)pyrazine
2-	methyl-3-methyl mercaptopyrazine
2-	methyl-3-methyl sulfanyl pyrazine
2-	methyl-3-methylsulfanylpyrazine
2-	methyl-3-methylthiopyrazine
2-	methylmercapto-3-methylpyrazine
2-	methylthio-3-methyl pyrazine
2-	methylthio-3-methylpyrazine
2-(	methylthio)-3-methylpyrazine
	pyrazine, 2-methyl-3-(methylthio)-
	pyrazine, methyl(methylthio)-

Articles:

US Patents:3,952,024 - Furfurylthioacetone