2-Methylpyrazine (HCID 7976)

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-pyrazinemethyl-pyrazineFEMA No. 3309DTXSID4047620pyrazine, 2-methylRVC6500U9C

이름 더 보기

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

NSC-30412NSC-49138CHEBI:89015RefChem:1113273203-645-8methyl pyrazineMFCD000061422-METHYL PYRAZINE

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 물성

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

물리화학적 성질

녹는점: -29 °C · -29 °C (lit.)
끓는 점: 135 °C/761 · 135 °C/761 mmHg (lit.)
밀도: 1.03 g/mL · 1.03 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.504(lit.)
FEMA: 3309 · 3309 | 2-METHYLPYRAZINE
인화점: 122 °F · 122 °F
저장 조건: 2 · 2-8°C
용해도: 20.87 mg/mL · >20.87 mg/mL in EtOH with ultrasonic; >49.9 mg/mL in DMSO;
물리적 상태: 액체
산도 계수 (pKa): 1.45 · 1.45(at 27℃)
색상: 무색투명~미황색
냄새: 1 % · 디프로필렌 글리콜 중 1.00%. 열매가 많은 코코아 구운 초콜릿 땅콩 그린
냄새 유형: 견과류
생물학적 소스: synthetic
수용성: 물에 완전히 섞임.
JECFA Number: 761 · 761
BRN: 105778 · 105778
Henry's Law Constant: 4.5 · 4.5×100 mol/(m3Pa) at 25℃, Buttery et al. (1971)
주요 응용: 향료 및 향
InChI: 1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3
InChIKey: CAWHJQAVHZEVTJ-UHFFFAOYSA-N
SMILES: Cc1cnccn1
LogP: 0.18 · 0.18
NIST: Pyrazine, methyl-(109-08-0)
EPA: Pyrazine, methyl- (109-08-0)

화학적 성질

2-Methylpyrazine has a nutty, cocoa, green, roasted, chocolate, meaty odor.

안전 및 규제

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
포장분류: III
위험 등급: 3
기존화학 물질: KE-25312
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

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

상·하류 제품 정보

상류 원료

메틸 글리옥살 에틸렌디아민 2-Methylpiperazine Pyrazine, 2,3-dimethyl-5-(1Z)-1-propen-1-yl-Pyrazine, 3,5-dimethyl-2-(1Z)-1-propen-1-yl-3-Ethyl-2,5-diMethylpyrazine 3,5-DIMETHYL-2-ETHYLPYRAZINE 에틸(2-)-3-메틸피라지온 2,3-디메틸피라진 2,3,5-트리메틸피라진

하류 제품

테트라메틸피라진 5-Methyl-2-pyrazinecarboxylic acid 모르폴린 2-Phenethylpyrazine 1-페닐-2-피라진-2-일레탄온 피라진-2-일-아세트산에틸에스테르

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

연결된 노트

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메틸피라진

기본 정보

개요