기본 정보
- CAS
13360-65-1- 표준 SMILES
CCc1nc(C)cnc1C- InChIKey
WHMWOHBXYIZFPF-UHFFFAOYSA-N- 분자식
- C8H12N2
- 평균 분자량
- 136.19 g/mol
- 단동위원소 질량
- 136.10004839
개요
3-ethyl-2,5-dimethylpyrazine is a member of pyrazines.
이름 및 식별자
- 우선 이름
- 3-Ethyl-2,5-dimethylpyrazine
- IUPAC
- 3-ethyl-2,5-dimethylpyrazine
- 영어명
- 3-Ethyl-2,5-diMethylpyrazine
- 분자식
- C8H12N2
- 분자량
- 136.19
이름 및 동의어
3-Ethyl-2,5-dimethylpyrazine13360-65-12-Ethyl-3,6-dimethylpyrazinePyrazine, 3-ethyl-2,5-dimethyl-G2FB13VLOG2E3,6DMPFEMA NO. 3149, 3,6-DIMETHYL-RefChem:471792236-417-13,6-cocoa pyrazine2,5-DIMETHYL-3-ETHYLPYRAZINE3,6-Dimethyl-2-ethylpyrazine
이름 더 보기
FEMA 31492,6-DIMETHYL-3-ETHYLPYRAZINE3-Ethyl-2,5-Methylpyrazine2-ETHYL-3,5(OR 6)-DIMETHYLPYRAZINEFEMA NUMBER 3149
Pyrazine, 2-ethyl-3,6-dimethylPyrazine, 2-ethyl-3,?-dimethyl-2-Ethyl-3,5/6-dimethyl-PyrazineMFCD00053098UNII-G2FB13VLOG3-Ethyl-2,5-dimethyl-pyrazine3-Ethyl-2,5-dimethylpyrazine; 2,5-Dimethyl-3-ethylpyrazine; 3,6-Dimethyl-2-ethylpyrazine;EINECS 236-417-1
데이터베이스 식별자
- CAS
13360-65-1、27043-05-6- PubChem CID
- 25916
- DTXSID
DTXSID1065423- ChEMBL
CHEMBL95123- ChEBI
CHEBI:199156- UNII
- G2FB13VLOG
- EC Number
- 236-417-1
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 25.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 103
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (3-Ethyl-2,5-dimethylpyrazine) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
물리화학적 성질
- 끓는 점
- 180 · 180-181 °C(lit.)
- 밀도
- 0.965 g/mL · 0.965 g/mL at 25 °C(lit.)
- FEMA
- 3149 · 3149 | 2-ETHYL-3,(5 OR 6)-DIMETHYLPYRAZINE
- 굴절률
- 20 · n20/D 1.5015(lit.)
- 인화점
- 157 °F · 157 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 산도 계수 (pKa)
- 2.61 · 2.61±0.10(Predicted)
- 물리적 상태
- 기름
- 색상
- 무색
- 냄새
- roasted odor, reminiscent of nuts
- 냄새 유형
- 견과류
- JECFA Number
- 775 · 775
- 화장품 원료 기능
- 향수
- LogP
- 2.07 · 2.07
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): 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 1017 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Pyrazine, 3-ethyl-2,5-dimethyl-
Chemical: Pyrazine, 2-ethyl-3,?-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyrazine, 3-ethyl-2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Pyrazine, 2-ethyl-3,?-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Pyrazine, 2-ethyl-3,?-dimethyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 26
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing Information
Pyrazine, 3-ethyl-2,5-dimethyl-: ACTIVE
Pyrazine, 2-ethyl-3,?-dimethyl-: ACTIVE
응용 분야
용도2-Ethyl-3,6-dimethylpyrazine is a flavour-active and non-volatile compound identified in thermally treated yeast extracts. It is also useful in the synthesis of new flavour additive species of pyrazines.
상·하류 제품 정보
하류 제품
공급사79 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
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