5-Methylquinoxaline
기본 정보
- CAS
13708-12-8- 표준 SMILES
Cc1cccc2nccnc12- InChIKey
CQLOYHZZZCWHSG-UHFFFAOYSA-N- 분자식
- C9H8N2
- 평균 분자량
- 144.17 g/mol
- 단동위원소 질량
- 144.06874826
개요
5-methylquinoxaline is a quinoxaline derivative in which the quinoxaline (1,4-naphthyridine) skeleton is substituted at C-5 with a methyl group.
이름 및 식별자
- 우선 이름
- 5-Methylquinoxaline
- IUPAC
- 5-methylquinoxaline
- 영어명
- 5-Methylquinoxaline
- 분자식
- C9H8N2
- 분자량
- 144.17
이름 및 동의어
5-Methylquinoxaline13708-12-8Quinoxaline, 5-methyl-FEMA No. 32035-methyl quinoxalineDTXSID4047090EINECS 237-246-58-methylquinoxalineL0AD7T152GCHEBI:1327995-methyl-1,4-naphthyridine8-methyl-1,4-naphthyridine
이름 더 보기
FEMA 3203FEMA NUMBER 32035-METHYLQUINOXOLINE5-Methylquinoxaline>5-Methylquinoxaline,98%5-METHYLQUINOXALINE 99+%5 AND 6-METHYLQUINOXALINE
DTXCID20270905-METHYLQUINOXALINE [FHFI]RefChem:537341237-246-5MFCD000123355-Methyl-QuinoxalineUNII-L0AD7T152G5-Methyl-quinoxalin
데이터베이스 식별자
- CAS
13708-12-8- PubChem CID
- 61670
- DTXSID
DTXSID4047090- ChEMBL
CHEMBL3182614- ChEBI
CHEBI:132799- UNII
- L0AD7T152G
- EC Number
- 237-246-5
- Nikkaji
- J101.318A
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 25.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 136
실험 및 물리화학적 성질
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (5-Methylquinoxaline) -> IFRA transparency List
LogP
2.04
2.04
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.102-1.128
Flavoring AgentsEU Flavoring substances
Solubility
freely soluble in water, organic solvents, oils
very soluble (in ethanol)
Boiling Point120 °C (15 mm Hg)
Melting Point20 - 21 °C
Refractive Index1.616-1.624
Physical Description
Liquid
colourless to light yellow liquid with a burnt, roasted, nutty, coffee odour
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 75.8% (141 of 186) of all reports.
Warning
H315 (24.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 186 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Quinoxaline, 5-methyl-
Regulation (EC) No 1831/2003 (amended)
Quinoxaline, 5-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (24.2%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 2933990099
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
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
General Manufacturing InformationQuinoxaline, 5-methyl-: ACTIVE
응용 분야
개요5-Methylquinoxaline has a burnt, roasted, nutty, roasted com, coffee odor.
출처Reported found in coffee and roasted almonds
용도5-Methylquinoxaline was used in the synthesis of 1,12-diphenyl-5-methyl-1,12,12a,12b-tetrahydrobis[1,2,4]triazolo[4,3-a:3′,4′-c]quinoxaline bis-cycloadducts.
일반 설명5-Methylquinoxaline has been identified as one of the key volatile aroma compounds in roasted almonds{170] and roasted coffee.
상·하류 제품 정보
상류 원료
추가 설명
정의ChEBI: A quinoxaline derivative in which the quinoxaline (1,4-naphthyridine) skeleton is substituted at C-5 with a methyl group.
관련 반응
6건
화합물 노트
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