2,5-Dimethylpyrazine (HCID 31252)

개요

2,5-Dimethylpyrazine is a member of pyrazines.

이름 및 식별자

우선 이름: 2,5-Dimethylpyrazine
IUPAC: 2,5-dimethylpyrazine
현지명: 2,5-디메틸피라진
영어명: 2,5-Dimethyl pyrazine
분자식: C6H8N2
분자량: 108.14

이름 및 동의어

2,5-DIMETHYLPYRAZINE123-32-0Pyrazine, 2,5-dimethyl-2,5-Dimethyl-1,4-diazineKetineFEMA No. 3272V99Y0MUY1QNSC-49139DTXSID6047652RefChem:82971DTXCID4027652204-618-3

이름 더 보기

2,5-디메틸피라진2,5-다이메틸피라진Pyrazine,2,5-dimethyl-2,5-Dimethylprazin2,5-DimethylStructural formula2,5-dimethyl-pyrazintomfor

2,5-Dimethyl pyrazineNSC 491392,5-Dimethylpiazine2,5-DimethylparadiazineMFCD000061472,5-Dimethyl-pyrazinePYRAZINE,2,5-DIMETHYLFEMA 3272

데이터베이스 식별자

CAS: 123-32-0
PubChem CID: 31252
DTXSID: DTXSID6047652
ChEMBL: CHEMBL94709
ChEBI: CHEBI:89762
UNII: V99Y0MUY1Q
EC Number: 204-618-3
Nikkaji: J2.009E

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 25.8 Å²
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 (2,5-Dimethylpyrazine) -> IFRA transparency List

LogP0.63

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.982-1.000

물리화학적 성질

녹는점: 15 °C · 15°C
끓는 점: 155 °C · 155 °C (lit.)
밀도: 0.99 g/mL · 0.99 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.502(lit.)
FEMA: 3272 · 3272 | 2,5-DIMETHYLPYRAZINE
인화점: 147 °F · 147 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 2.21 · 2.21±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 0.99 · 0.990
색상: 무색~담황색 투명
수소이온지수(pH): 7 · 7 (H2O)
냄새: 0.1 % · 디프로필렌 글리콜 중 0.10%. 고소하게 구운 구운 감자
냄새 유형: 초콜릿
생물학적 소스: synthetic
JECFA Number: 766 · 766
BRN: 107052 · 107052
Henry's Law Constant: 7.1 · 7.1×100 mol/(m3Pa) at 25℃, Marin et al. (1999)
Dielectric constant: 2.44 · 2.4399999999999999
화장품 원료 기능: 향수
InChI: 1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3
InChIKey: LCZUOKDVTBMCMX-UHFFFAOYSA-N
SMILES: Cc1cnc(C)cn1
LogP: 0.64 · 0.64
NIST: 2 · Pyrazine, 2,5-dimethyl-(123-32-0)
EPA: 2 · Pyrazine, 2,5-dimethyl- (123-32-0)

화학적 성질

clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

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 1762 reports by companies from 9 notifications to the ECHA C&L Inventory.

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]

유해성 정보

Regulatory Information · 3건

Chemical: Pyrazine, 2,5-dimethyl-

Regulation (EC) No 1831/2003 (amended)

2,5-Dimethylpyrazine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses convulsions in acute intraperitoneal studies of mice; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS]

Hazard Classes and Categories · 2건

Acute Tox. 4 (100%)

Flammable liquids - Category 3

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UQ2800000
ridadr: NA 1993 / PGIII
HS 번호: 29339990
risk_code: 22-36/37/38-R22
hazard_code: Xn,Xi
safety_code: 26-36
기존화학 물질: KE-11841
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

UsesUsed as flavoring agent or adjuvant; [FDA]

Use Classification · 5건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationPyrazine, 2,5-dimethyl-: ACTIVE

응용 분야 · 3건

출처Reported to be present in bakery products, roasted barley, cocoa products, roasted coffee, dairy products, pork, peanuts, pecans, filberts, popcorn, potato products, rum and whiskey, soy products; a volatile component in roasted filberts and in potato chips; reportedly identified in the fat of cooked beef; also reported found in toasted off-flavors. Also reported in cheeses, butter, boiled eggs, grilled beef, tea, barley, oats, oatmeal, soybeans, heated beans, kohlrabi, shrimp and mushrooms. Also reported found in coffee, potato chips and shrimp

용도2,5-Dimethyl pyrazine is used for blending food, nuts and beverage flavors.

일반 설명2,5-Dimethylpyrazine is a pyrazine compound that is mainly formed in food products such as cooked rice or roasted peanuts due to the Maillard reaction between sugars and proteins during cooking or roasting process.

제조 방법

By the interaction of acrolein and ammonia when heated in glycerol in the presence of ammonium salts; by self-condensation of aminoacetone, followed by oxidation with mercury chloride.

상·하류 제품 정보

상류 원료

아크롤레인 피라진,2,5-디메틸-3-프로필-(8CI,9CI)2-메틸-5-sec-부틸피라진 azidoacetone 2,4-옥타디엔 2-메틸-5-프로필-피라진 1,3-옥타디엔 2-아미노-2-프로판올 (E)-2-oxopropanal oxime 2-ISOBUTYL-3-METHYLPYRAZINE 아미노아세톤수소화물 디엘-2-아미노-1-프로판올

하류 제품

트랜스-2,5-디메틸피페라진 2,6-Dimethylpyrazine Pyrimidine, 2,4-dimethyl- (6CI,7CI,8CI,9CI)Pyrazine-2,5-dicarboxylic acid pyrazine-2,5-dicarbaldehyde

공급사50 곳

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苏州申拓医药科技有限公司13911244683 18151949202

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연결된 노트

불러오는 중…

2,5-디메틸피라진

기본 정보

개요