기본 정보
- CAS
25773-40-4- 표준 SMILES
COc1nccnc1C(C)C- InChIKey
NTOPKICPEQUPPH-UHFFFAOYSA-N- 분자식
- C8H12N2O
- 평균 분자량
- 152.19 g/mol
- 단동위원소 질량
- 152.09496301
개요
2-isopropyl-3-methoxypyrazine has been reported in Zingiber mioga, Panax notoginseng, and other organisms with data available.
이름 및 식별자
- 우선 이름
- 2-Isopropyl-3-methoxypyrazine
- IUPAC
- 2-methoxy-3-propan-2-ylpyrazine
- 영어명
- 2-Isopropyl-3-methoxypyrazine
- 분자식
- C8H12N2O
- 분자량
- 152.19
이름 및 동의어
2-ISOPROPYL-3-METHOXYPYRAZINE25773-40-42-Methoxy-3-isopropylpyrazine2-methoxy-3-propan-2-ylpyrazine3-isopropyl-2-methoxypyrazinePyrazine, 2-methoxy-3-(1-methylethyl)-2-methoxy-3-(propan-2-yl)pyrazine1FL7L111A6DTXSID4067147FEMA NO. 3358, 3-METHOXY-RefChem:909968DTXCID8037388
이름 더 보기
Bean pyrazineFEMA 335847527-uFEMA NUMBER 3358Thymol Impurity?393-Methoxy-2-isopropylpyrazine
247-256-1MFCD000061351qy22-methoxy-3-(1-methylethyl)pyrazineUNII-C90S36R5GY2-Isopropyl-3-methoxypyrazine, 97%GS2586DS-4678
데이터베이스 식별자
- CAS
25773-40-4、93905-03-4- PubChem CID
- 33166
- DTXSID
DTXSID4067147- ChEMBL
CHEMBL96852- UNII
- 1FL7L111A6
- EC Number
- 247-256-1、299-837-4
- Nikkaji
- J126.471K
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 35 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 117
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
FragrancesFragrance Ingredient (2-Methoxy-3(5 and 6)-isopropylpyrazine) -> IFRA transparency List
Flavoring Agents
EU Flavoring substances
EU Flavoring substances
Boiling Point120.00 to 125.00 °C. @ 20.00 mm Hg
물리화학적 성질
- 끓는 점
- 120 · 120-125 °C (20 mmHg)
- 밀도
- 0.996 g/mL · 0.996 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.494(lit.)
- FEMA
- 3358 · 3358 | 2-METHOXY-3(5 AND 6)-ISOPROPYLPYRAZINE
- 인화점
- 152 °F · 152 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 0.81 · 0.81±0.10(Predicted)
- 물리적 상태
- 투명한 액체
- 색상
- Colorless to Orange to Green
- 냄새
- 녹색 완두콩 냄새
- 생물학적 소스
- synthetic
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 5.9% (86 of 1452) of reports.
Warning
H302 (88.8%): 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 1452 reports by companies from 10 notifications to the ECHA C&L Inventory.
Warning
유해성 정보
Regulatory Information
Chemical: Pyrazine, 2-methoxy-3-(1-methylethyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Pyrazine, 2-methoxy-3-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Pyrazine, methoxy(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Pyrazine, 2-methoxy-3-(1-methylethyl)-: Environment tier I assessment
Hazard Classes and Categories
Acute Tox. 4 (88.8%)
Skin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1230 3/PG 2
- HS 번호
- 29339900
- risk_code
- 36/37/38-39/23/24/25-23/24/25-11
- hazard_code
- Xi,T,F
- safety_code
- 26-36/37/39-24/25-45-36/37-16-7-36/37/38
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
Use ClassificationFragrance Ingredients
General Manufacturing InformationPyrazine, 2-methoxy-3-(1-methylethyl)-: ACTIVE
응용 분야
일반 설명2-Isopropyl-3-methoxypyrazine, a taste and odor compound, was determined by headspace solid-phase microextraction (SPME) coupled with gas chromatography-mass spectrometry.
상·하류 제품 정보
상류 원료
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
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