기본 정보
- CAS
13360-64-0- 표준 SMILES
CCc1cnc(C)cn1- InChIKey
OXCKCFJIKRGXMM-UHFFFAOYSA-N- 분자식
- C7H10N2
- 평균 분자량
- 122.17 g/mol
- 단동위원소 질량
- 122.08439833
개요
2-ethyl-5-methylpyrazine is a member of the class of pyrazines that is pyrazine with an ethyl group at position 2 and a methyl group at position 5 or vice versa. Found in tea, soybean paste, chocolate and sesame seed oil. It has a role as a flavouring agent and a Maillard reaction product. It is a volatile organic compound and a member of pyrazines.
이름 및 식별자
- 우선 이름
- 2-Ethyl-5-methylpyrazine
- IUPAC
- 2-ethyl-5-methylpyrazine
- 영어명
- 2-Ethyl-5-methylpyrazine
- 분자식
- C7H10N2
- 분자량
- 122.17
이름 및 동의어
2-ETHYL-5-METHYLPYRAZINE13360-64-0Pyrazine, 2-ethyl-5-methyl-2-Methyl-5-ethylpyrazineFEMA No. 31542-Ethyl-5-methyl pyrazine2,5-MethylethylpyrazineBRN 0956719W41R8X574D2-Ethyl-5-methyl-pyrazineEINECS 236-416-6AI3-34443
이름 더 보기
2-Methyl-5-ethyl pyraine2-ethyl-5-Methyl pyraine2-Methyl-5-ethylpirazine5-ETHYL-2-METHYLPYRAZINED5-2-Ethyl-5-methylpyrazine4-diphenylphosphinooxyphenol2-Ethyl-5-methylpyrazine USP/EP/BP
FEMA 3154ETHYL-5-METHYLPYRAZINE, 2-DTXSID60654225-METHYL-2-ETHYLPYRAZINECHEBI:1415422-ETHYL-5-METHYLPYRAZINE [FHFI]RefChem:471855DTXCID9034157
데이터베이스 식별자
- CAS
13360-64-0、36731-41-6- PubChem CID
- 25915
- DTXSID
DTXSID6065422- ChEMBL
CHEMBL94558- ChEBI
CHEBI:141542
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 25.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 83
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (2-Ethyl-5-methylpyrazine) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.960-0.970
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water, organic solvents
miscible at room temperature (in ethanol)
Boiling Point79 °C (66 mm Hg)
Refractive Index1.491-1.501
Physical Descriptioncolourless to slightly yellow liquid with a nutty, roasted, grassy odour
물리화학적 성질
- 끓는 점
- 170.8 · 170.8±35.0 °C(Predicted)
- 밀도
- 0.977 · 0.977±0.06 g/cm3(Predicted)
- FEMA
- 3154 · 3154 | 2-ETHYL-5-METHYLPYRAZINE
- 인화점
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (97.5%): 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 1592 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Pyrazine, 2-ethyl-5-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyrazine, 2-ethyl-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (97.5%)
안전 데이터
- tsca
- TSCA listed
- ridadr
- UN1993
- 위험 등급
- 3
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyrazine, 2-ethyl-5-methyl-: ACTIVE
응용 분야
출처Reported found as a constituent in coffee aroma, in roasted barley, dairy products, peanuts, pecans, filberts, popcorn, potato and soy products, smoked fish, wheat and rye bread, asparagus, bell pepper, roasted coconut, cooked beef, beer, whiskey, cocoa, coffee, tea and cooked shrimp.
제조 방법
By alkylation of dimethyl-2,5-pyrazine.
상·하류 제품 정보
하류 제품
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