메틸피라진

2-Methylpyrazine

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기본 정보

CAS: 109-08-0
표준 SMILES: Cc1cnccn1
InChIKey: CAWHJQAVHZEVTJ-UHFFFAOYSA-N
분자식: C5H6N2
평균 분자량: 94.11 g/mol
단동위원소 질량: 94.0530982

개요

Methylpyrazine is a member of the class of pyrazines that is pyrazine in which one of the hydrogens is replaced by a methyl group. It is a flavouring agent found in coffee, peanuts and red peppers. It has a role as a flavouring agent, a plant metabolite and a Maillard reaction product.

이름 및 식별자

우선 이름: 2-Methylpyrazine
IUPAC: 2-methylpyrazine
현지명: 메틸피라진
영어명: 2-Methylpyrazine
분자식: C5H6N2
분자량: 94.11

이름 및 동의어

2-METHYLPYRAZINE109-08-0MethylpyrazinePyrazine, methyl-Pyrazine, 2-methyl-2-Methyl-1,4-diazine2-methyl-pyrazineFEMA No. 3309methyl-pyrazineDTXSID4047620pyrazine, 2-methylRVC6500U9C

이름 더 보기

2-메틸피라진메틸피라진2-메틸-피라진FEMA 3309methyl-pyrazin3-MethylpyrazineMETHYLPYRAZINE, 2-MPZFEMA 3616Methylpiazine

NSC-30412NSC-49138CHEBI:89015RefChem:1113273203-645-8methyl pyrazine5-methylpyrazinemonomethylpyrazine

데이터베이스 식별자

CAS: 109-08-0
PubChem CID: 7976
DTXSID: DTXSID4047620
ChEMBL: CHEMBL479791
ChEBI: CHEBI:89015
UNII: RVC6500U9C
EC Number: 203-645-8
Nikkaji: J1.501F

물성

구조 계산 물성보충 중

XLogP: 0.2
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 54

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyrazines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

FragrancesFragrance Ingredient (2-Methylpyrazine) -> IFRA transparency List

LogP · 2건

0.21

0.23

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

Density1.007-1.033

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1659 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

유해성 정보

Regulatory Information · 3건

Chemical: Pyrazine, methyl-

Regulation (EC) No 1831/2003 (amended)

2-Methylpyrazine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySafe when used as a flavoring agent in food; [JECFA] An irritant; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and Categories · 2건

Flam. Liq. 3 (100%)

Flammable liquids - Category 3

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UQ3675000
ridadr: UN 1993 3/PG 3
독성: mouse,LD50,intraperitoneal,1820mg/kg (1820mg/kg),Toxicology and Applied Pharmacology. Vol. 17, Pg. 244, 1970.
HS 번호: 29339990
risk_code: 10-22-36/37/38
hazard_code: Xn,Xi,F
safety_code: 26-36-16

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

UsesUsed as flavoring agent or adjuvant; [FDA]

Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationPyrazine, 2-methyl-: ACTIVE

응용 분야 · 4건

개요2-Methylpyrazine has an odor threshold in water variously reported at 60,000 or 105,000 ppb. May be prepared from the corresponding carboxylic acid; by catalytic dehydrogenation of 2-methyl-piperazine; by condensation of methylglyoxal with ethylenediamine.

출처Reported found in bakery products, roasted barley, cocoa products, coffee, dairy products, cooked meats, peanuts, filberts, pecans, popcorn, potato chips, rum and whiskey, soy product, roasted filberts, roasted almonds, guava, papaya, asparagus, kohlrabi, baked and fried potato, milk, boiled egg, smoked fish, beer, coffee, sesame seed, rice, sukiyaki, buckwheat, sweet corn, corn tortillas, malt, wort, wild rice, okra, crayfish, clam, squid and maté.

용도2-Methylpyrazine is used as flavoring agents in bread fresh bread, butter, chocolate, chocolate cocoa, coffee, meat roasted, nut almond.

일반 설명2-Methylpyrazine is an alkyl-substituted pyrazine used as a key intermediate in the synthesis of pyrazineamide, an anti-tubercular drug.

제조 방법

From corresponding carboxylic acid; by catalytic dehydrogenation of 2-methyl-piperazine; by condensation of methylglyoxal with ethylenediamine

화합물 노트

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기본 정보

CAS: 109-08-0
표준 SMILES: Cc1cnccn1
InChIKey: CAWHJQAVHZEVTJ-UHFFFAOYSA-N
분자식: C5H6N2
평균 분자량: 94.11 g/mol
단동위원소 질량: 94.0530982

개요