기본 정보
- CAS
59021-02-2- 표준 SMILES
SCc1cnccn1- InChIKey
VQFGDOHENLRPFB-UHFFFAOYSA-N- 분자식
- C5H6N2S
- 평균 분자량
- 126.18 g/mol
- 단동위원소 질량
- 126.02516937
개요
Pyrazinemethanethiol is a member of pyrazines.
이름 및 식별자
- 우선 이름
- 2-Mercaptomethyl pyrazine
- IUPAC
- pyrazin-2-ylmethanethiol
- 영어명
- 2-Mercaptomethylpyrazine
- 분자식
- C5H6N2S
- 분자량
- 126.18
이름 및 동의어
2-Mercaptomethylpyrazinepyrazin-2-ylmethanethiolPyrazinemethanethiolPyrazinylmethyl mercaptan2-Pyrazinemethanethiol2-mercaptomethyl pyrazine2-(mercaptomethyl)pyrazineFEMA No. 3299Pyrazine, 2-mercaptomethyl-BRN 0878425CUV3XV379FDTXSID3069302
이름 더 보기
FEMA 3299FEMA NUMBER 32992-MercaptoMethylpyraPYRAZINE METHANETHIOL2-pyrazinylmethanethiolMERCAPTOMETHYL PYRAZINE2-mercaptomethyl-pyrazin2-Mercaptomethylpyrazine USP/EP/BP
2-MERCAPTOMETHYL PYRAZINE [FHFI]RefChem:474042DTXCID604252559021-02-2(pyrazin-2-yl)methanethiolUNII-CUV3XV379F2-Mercaptomethyl-Pyrazine2-mercapto methyl pyrazine
데이터베이스 식별자
- CAS
59021-02-2- PubChem CID
- 62145
- DTXSID
DTXSID3069302- ChEBI
CHEBI:166526- UNII
- CUV3XV379F
- EC Number
- 662-757-9
- Nikkaji
- J429.384C
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 26.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 67.4
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.148-1.156
Solubility
soluble in water, organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
44.00 to 45.00 °C. @ 0.07 mm Hg
94 °C (10 mm Hg)
Refractive Index1.548-1.560
Physical Descriptioncolourless to yellow liquid with a roasted, meat-like odour
물리화학적 성질
- 끓는 점
- 224.8 · 224.8±25.0 °C(Predicted)
- 밀도
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- FEMA
- 3299 · 3299 | 2-MERCAPTOMETHYLPYRAZINE
- 산도 계수 (pKa)
- 8.73 · 8.73±0.25(Predicted)
- 냄새
- 0.1 % · 프로필렌 글리콜 중 0.10%. 설탕 시럽에 구운 고기
- 냄새 유형
- 캐러멜 같은
- JECFA Number
- 794 · 794
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+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.
유해성 정보
Regulatory Information
Chemical: Pyrazinemethanethiol
Pyrazinemethanethiol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Pyrazinemethanethiol: INACTIVE
제조 방법
Chloromethylpyrazine is added to sodium hydrogen sulfide.
상·하류 제품 정보
상류 원료
공급사62 곳
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
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