2-Ethyl-3-methylthiopyrazine

HCID 175366

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Basic information

CAS: 72987-62-3
Standard SMILES: CCc1nccnc1SC
InChIKey: XYHPPOMSLGJAAM-UHFFFAOYSA-N
Molecular formula: C7H10N2S
Average molar mass: 154.24 g/mol
Monoisotopic mass: 154.0564695

Names & identifiers

Preferred name: 2-Ethyl-3-methylthiopyrazine
IUPAC: 2-ethyl-3-methylsulfanylpyrazine
English name: 2-(Methylthio)-3-ethylpyrazine
Molecular formula: C7H10N2S
Molecular weight: 154.23

Names & synonyms

2-Ethyl-3-(methylthio)pyrazine2-(Methylthio)-3-ethylpyrazine2-Ethyl-3-methylthiopyrazinePyrazine, 2-ethyl-3-(methylthio)-UNII-D7F04498AYD7F04498AYEINECS 277-191-43-ethyl-2-(methylthio)pyrazineDTXSID7072701FEMA NO. 4631Pyrazine, 3-ethyl-2-(methylthio)RefChem:86892

Show more names

2-(METHYLTHIO)-3-ETH2-Ethyl-3-(methylthio)pyrazine>2-Ethyl-3-(methylsulfanyl)pyrazine2-METHYLTHIO-3(5/6)-ETHYL PYRAZINE2-methylthio-3-ethylpyrazine USP/EP/BP

DTXCID5047455XYHPPOMSLGJAAM-UHFFFAOYSA-N72987-62-33-ethyl-2-methylthiopyrazine2-Ethyl-3-(methylsulfanyl)pyrazine2-ethyl-3-methylsulfanylpyrazineMFCD000380272-ethyl-3-methylsulfanyl-pyrazine

Database identifiers

CAS: 72987-62-3
PubChem CID: 175366
DTXSID: DTXSID7072701
UNII: D7F04498AY
EC Number: 277-191-4
Nikkaji: J296.456B

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 51.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 97.6

Experimental & physicochemical properties

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density1.142-1.145 (20 °C)

Solubility · 2 items

Practically insoluble to insoluble in water

Soluble (in ethanol)

Boiling Point234-236 °C

Refractive Index1.568-1.583

Physical DescriptionClear light yellow liquid; Strong roasted meat aroma

Physicochemical properties

Boiling point: 234.8 · 234.8±40.0 °C(Predicted)
Density: 1.11 · 1.11
refractive index: 1.57 · 1.5700-1.5740
FEMA: 4631 · 4631 | 2-ETHYL-3-METHYLTHIOPYRAZINE
Flash point: 99 ℃ · 99℃
pka: 0.8 · 0.80±0.10(Predicted)
Odor: 0.1 % · at 0.10 % in propylene glycol. strong roasted or cooked meat
Odor Type: meaty
JECFA Number: 2132 · 2132
LogP: 2.25 · 2.25
CAS DataBase Reference: 72987 · 72987-62-3(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS): 2 · 2-ETHYL-3-METHYLTHIOPYRAZINE
FDA UNII: 7 F04498AY · D7F04498AY
EPA Substance Registry System: 2 · Pyrazine, 2-ethyl-3-(methylthio)- (72987-62-3)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 37 · 37/38-41
Safety Statements: 26 · 26-39
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 2930.9 · 2930.90.2900

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Pyrazine, 2-ethyl-3-(methylthio)-

Pyrazine, 2-ethyl-3-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
tsca: TSCA listed
hs_code: 2930.90.2900
risk_code: 37/38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
safety_code: 26-39
Hazard statements: H315-H318-H335
Precautionary statements: P261-P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationPyrazine, 2-ethyl-3-(methylthio)-: ACTIVE

Suppliers42 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

Related reactions

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Compound notes

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