2-메틸-5-비닐피라진

2-Methyl-5-vinylpyrazine

HCID 26335CAS 13925-08-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=Cc1cnc(C)cn1
InChIKey: JASFBLBUHWKFBZ-UHFFFAOYSA-N
분자식: C7H8N2
평균 분자량: 120.15 g/mol
단동위원소 질량: 120.06874826

이름 및 식별자

우선 이름: 2-Methyl-5-vinylpyrazine
IUPAC: 2-ethenyl-5-methylpyrazine
현지명: 2-메틸-5-비닐피라진
영어명: 2-Methyl-5-vinylpyrazine, 99%
분자식: C7H8N2
분자량: 120.15

이름 및 동의어

2-METHYL-5-VINYLPYRAZINE2-Ethenyl-5-methylpyrazinePyrazine, 2-ethenyl-5-methyl-2-methyl-5-vinyl-pyrazine2-Vinyl-5-methylpyrazinePyrazine, 2-methyl-5-vinyl-2-Methyl-5-ethenylpyrazine2-ethenyl-5-methyl pyrazinePyrazine, 2-vinyl,5-methylUNII-11651I34582-ethenyl-5-methyl-pyrazineDTXSID6065680

이름 더 보기

2-메틸-5-비닐피라진2-METHYL-5-VINYLPYRAZINE (RE-GRAS)

FEMA NO. 32115-METHYL-2-VINYLPYRAZINE2-Ethenyl-5-methylpyrazine, 9CI11651I34582-METHYL-5-VINYLPYRAZINE [FHFI]RefChem:88196DTXCID0034516JASFBLBUHWKFBZ-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 13925-08-1
PubChem CID: 26335
DTXSID: DTXSID6065680
ChEBI: CHEBI:193693
UNII: 11651I3458
Nikkaji: J101.076J

물성

구조 계산 물성

XLogP: 1
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 101

실험 및 물리화학적 성질

Density1.011-1.023

Solubility · 2건

Very slightly soluble in water; Soluble in acetone

Soluble (in ethanol)

Boiling Point · 2건

65.00 to 66.00 °C. @ 12.00 mm Hg

65-66 °C (12 mm Hg)

Refractive Index1.557-1.561

Physical DescriptionColourless to yellow liquid; Coffee-like aroma

Kovats Retention Index · 3건

993；1001；989；989；994；994；992；999；1001；994.6；1005

1034；1037；1041；1023；1031；1038；1032；1035；1012；1025；1025；1022

1495；1476；1488；1493；1468；1516；1538；1485；1516；1513；1489；1520；1529；1473.8；1474.8；1498；1500；1490；1513.5

물리화학적 성질

녹는점: 65 · 65-66 °C
끓는 점: 174.6 · 174.6±35.0 °C(Predicted)
밀도: 1.017 · 1.017±0.06 g/cm3(Predicted)
FEMA: 3211 · 3211 | 2-METHYL-5-VINYLPYRAZINE (RE-GRAS)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 1.34 · 1.34±0.10(Predicted)
냄새: 커피
냄새 유형: 커피
JECFA Number: 2127 · 2127
LogP: 1.04 · 1.04
EPA: 2 · Pyrazine, 2-ethenyl-5-methyl- (13925-08-1)

안전 및 규제

유해성 정보

Regulatory InformationChemical: Pyrazine, 2-ethenyl-5-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

규제 정보

Regulatory InformationChemical: Pyrazine, 2-ethenyl-5-methyl-

안전 데이터

tsca: TSCA listed

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing InformationPyrazine, 2-ethenyl-5-methyl-: INACTIVE

응용 분야

개요May be prepared by methylation of the Mannich base obtained by reacting formaldehyde and dimethylamine with dimethyl- 2, 5-pyrazine, followed by the Hoffman degradation.

출처Reported to be present in coffee, dairy products, peanuts, filberts, potato products, asparagus, fried chicken, cocoa, toasted oats, corn tortillas and mal

제조 방법

By methylation of the Mannich base obtained by reacting formaldehyde and dimethylamine with dimethyl-2,5-pyrazine, followed by the Hoffman degradation