기본 정보
- CAS
3149-28-8- 표준 SMILES
COc1cnccn1- InChIKey
WKSXRWSOSLGSTN-UHFFFAOYSA-N- 분자식
- C5H6N2O
- 평균 분자량
- 110.11 g/mol
- 단동위원소 질량
- 110.04801281
개요
Methoxypyrazine is an aromatic ether and a member of pyrazines.
이름 및 식별자
- 우선 이름
- 2-Methoxypyrazine
- IUPAC
- 2-methoxypyrazine
- 영어명
- 2-Methoxypyrazine
- 분자식
- C5H6N2O
- 분자량
- 110.11
이름 및 동의어
2-Methoxypyrazine3149-28-8METHOXYPYRAZINEPyrazine, methoxy-Pyrazine, 2-methoxy-2-Methoxy-1,4-diazineFEMA No. 3302EINECS 221-579-8RYD35T7F4TMONOMETHOXYPYRAZINEMETHOXYPYRAZINE [FHFI]2-METHOXYPYRAZINE [FCC]
이름 더 보기
FEMA 3302methoxy-pyrazinFEMA NUMBER 3302Methoxypyrazine,98%METHOXYPYRAZINE, 2-2-Methoxypyrazine>
DTXSID4047676RefChem:474681DTXCID2027676221-579-82-Methoxy-pyrazineMFCD00006126UNII-RYD35T7F4TMethoxy-Pyrazine
데이터베이스 식별자
- CAS
3149-28-8- PubChem CID
- 18467
- DTXSID
DTXSID4047676- ChEMBL
CHEMBL97794- ChEBI
CHEBI:180127- UNII
- RYD35T7F4T
- EC Number
- 221-579-8
- Nikkaji
- J110.394F
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 35 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 67.4
실험 및 물리화학적 성질
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (Methoxypyrazine) -> IFRA transparency List
LogP
0.73
0.73
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.109-1.140
Flavoring AgentsEU Flavoring substances
Solubility
miscible with water, organic solvents; soluble in oils
miscible at room temperature (in ethanol)
Boiling Point
60.00 to 61.00 °C. @ 29.00 mm Hg
61-62 °C (29 mm Hg)
Refractive Index1.492-1.510
Physical Descriptioncolourless to light yellow liquid with a nutty, cocoa-like odour
물리화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1429 reports by companies from 10 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Pyrazine, methoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Methoxypyrazine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (98.8%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29339990
- risk_code
- 10-22-37/38-41
- hazard_code
- Xn
- safety_code
- 16-26-39
- 포장분류
- III
- 위험 등급
- 3
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyrazine, 2-methoxy-: ACTIVE
응용 분야
개요Methoxypyrazine has an odor threshold of 700 ppb in water. Methoxypyrazine may be prepared from 2-hydroxypyrazine by various routes.
출처Present at ultra-trace levels in sauvignon blanc and cabernet sauvignon grapes and wine. Methoxypyrazine contributes a distinctive wine aroma, even at low parts per trillion levels. Also reported found in cooked beef, cocoa, malt and krill.
제조 방법
From 2-hydroxypyrazine by various routes.
상·하류 제품 정보
상류 원료
관련 반응
6건
화합물 노트
불러오는 중…