기본 정보
- CAS
25704-73-8- 표준 SMILES
Cc1nccnc1C- InChIKey
OXQOBQJCDNLAPO-UHFFFAOYSA-N- 분자식
- C6H8N2
- 평균 분자량
- 108.14 g/mol
- 단동위원소 질량
- 108.06874826
개요
2,3-Dimethylpyrazine is a member of pyrazines.
이름 및 식별자
- 우선 이름
- 2,3-Dimethylpyrazine
- IUPAC
- 2,3-dimethylpyrazine
- 현지명
- 2,3-디메틸피라진
- 영어명
- 2,3-Dimethylpyrazine
- 분자식
- C6H8N2
- 분자량
- 108.14
이름 및 동의어
2,3-DIMETHYLPYRAZINE5910-89-4Pyrazine, 2,3-dimethyl-2,3-Dimethyl-1,4-diazineFEMA No. 3271WHF7883D0V2,3-DMP pyrazineDTXSID4064058RefChem:442557DTXCID3042552227-630-02,3-Dimethyl-pyrazine
이름 더 보기
2,3-디메틸피라진2,3-다이메틸피라진FEMA 32712,3-Dimethylpyrazine >=99.0%FEMA NUMBER 3271DIMETHYLPYRAZINES2,3-dimethyl-pyrazin2,3-Dimethyloyrazine2.3-Dimethyl pryazine
DimethylpyrazineMFCD0000614425704-73-8Pyrazine, dimethyl-CCRIS 29282,3-Dimethylpyrazine (natural)2,3-dimethyl pyrazineEINECS 227-630-0
데이터베이스 식별자
- CAS
25704-73-8、5910-89-4- PubChem CID
- 22201
- DTXSID
DTXSID4064058- ChEMBL
CHEMBL96425- ChEBI
CHEBI:193606- UNII
- WHF7883D0V
- EC Number
- 227-630-0
- Nikkaji
- J45.570I
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 25.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 62.9
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Pyrazines
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (2,3-Dimethylpyrazine) -> IFRA transparency List
LogP0.54
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.997-1.030
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water, organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
155.00 to 157.00 °C. @ 760.00 mm Hg
156 °C
Vapor Pressure1.5 [mmHg]
Refractive Index1.501-1.510
Physical Description
Colorless liquid with a pleasant odor; [Alfa Aesar MSDS]
colourless to light yellow liquid with a nutty, cocoa-like odour
물리화학적 성질
- 녹는점
- 11 · 11-13 °C
- 끓는 점
- 156 °C · 156 °C (lit.)
- 밀도
- 1.011 g/mL · 1.011 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.507(lit.)
- FEMA
- 3271 · 3271 | 2,3-DIMETHYLPYRAZINE
- 인화점
- 130 °F · 130 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 2.21 · 2.21±0.10(Predicted)
- 물리적 상태
- 투명한 액체
- Specific Gravity
- 1.022 · 1.022
- 색상
- Colorless to Light orange to Yellow
- 수소이온지수(pH)
- 7 · 7 (H2O, 20℃)
- 냄새
- 견과류를 연상시키는 구운 냄새
- 냄새 유형
- 견과류
- 생물학적 소스
- synthetic
- JECFA Number
- 765 · 765
- BRN
- 107908 · 107908
- 주요 응용
- 향료 및 향
- InChI
- 1S/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3
- InChIKey
- OXQOBQJCDNLAPO-UHFFFAOYSA-N
- SMILES
- Cc1nccnc1C
- LogP
- 0.64 · 0.64
- NIST
- 2 · Pyrazine, 2,3-dimethyl-(5910-89-4)
- EPA
- 2 · Pyrazine, 2,3-dimethyl- (5910-89-4)
화학적 성질
2,3-Dimethylpyrazine has a nutty, cocoa-like odor and green note.
안전 및 규제
GHS 분류
GHS Classification
Warning
H226 (100%): 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 1668 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Pyrazine, 2,3-dimethyl-
Regulation (EC) No 1831/2003 (amended)
2,3-Dimethylpyrazine: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UQ2625000
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29339990
- risk_code
- 10-22-37/38-41
- hazard_code
- Xn,F,Xi
- safety_code
- 16-26-39
- 포장분류
- III
- 위험 등급
- 3
- 위험 참고 사항
- Irritant/Flammable
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
용도 및 제조
UsesUsed as a flavoring agent; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPyrazine, 2,3-dimethyl-: ACTIVE
응용 분야
일반 설명The bacterium strain DP-45, identified as Rhodococcus erythropolis, was grown on 2,3-dimethylpyrazine.
상·하류 제품 정보
상류 원료
하류 제품
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