2,6-Dimethylpyrazine (HCID 7938)

개요

2,6-Dimethylpyrazine is a member of pyrazines.

이름 및 식별자

우선 이름: 2,6-Dimethylpyrazine
IUPAC: 2,6-dimethylpyrazine
영어명: 2,6-Dimethylpyrazine
분자식: C6H8N2
분자량: 108.14

이름 및 동의어

2,6-DIMETHYLPYRAZINE108-50-9Pyrazine, 2,6-dimethyl-3,5-DimethylpyrazineFEMA No. 3273N77Q72C9I3DTXSID5047619RefChem:445751DTXCID3027619203-589-42,6-Dimethylpiazine2,6-Dimethylparadiazine

이름 더 보기

FEMA 3273FEMA NUMBER 32736-DiMethylpyrazine2,6-dimethyl-pyrazin2,6-SIMETHYLPYRAZINE2.6-Dimethyl pryazine

2,6-Dimethyl-1,4-diazineMFCD000061482,6DMPCCRIS 29302,6-Dimethylpyrazine (natural)EINECS 203-589-4UNII-N77Q72C9I32,6 dimethylpyrazine

데이터베이스 식별자

CAS: 108-50-9
PubChem CID: 7938
DTXSID: DTXSID5047619
ChEBI: CHEBI:89791
UNII: N77Q72C9I3
EC Number: 203-589-4
Nikkaji: J1.498B

물성

구조 계산 물성

XLogP: 0.5
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: 64.9

실험 및 물리화학적 성질

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

FragrancesFragrance Ingredient (2,6-Dimethylpyrazine) -> IFRA transparency List

LogP · 2건

0.54

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

Flavoring AgentsEU Flavoring substances

Solubility · 2건

soluble in water, organic solvents

very soluble (in ethanol)

물리화학적 성질

녹는점: 35 · 35-40 °C(lit.)
끓는 점: 154 °C · 154 °C(lit.)
밀도: 0.965 · 0.965(50.0000℃)
FEMA: 3273 · 3273 | 2,6-DIMETHYLPYRAZINE
굴절률: 1.5 · 1.5000
인화점: 127 °F · 127 °F
저장 조건: -20 °C · -20°C
용해도: 에 용해됨클로로포름, 메탄올 (약간 용해됨)
산도 계수 (pKa): 2.49 · 2.49±0.10(Predicted)
물리적 상태: 저융점 결정성 고체
색상: 옅은 노랑
수소이온지수(pH): 7 · 7 (H2O, 20℃)
냄새: 10 % · 디프로필렌 글리콜 중 10.00%. 미묘한 코코아 열매가 많은 구운 고기가 풍부한 갈색 커피 버터밀크
냄새 유형: 초콜릿
생물학적 소스: synthetic
수용성: 물에 용해됩니다.
JECFA Number: 767 · 767
BRN: 1726 · 1726
Henry's Law Constant: 9.8 · 9.8×10-1 mol/(m3Pa) at 25℃, Chaintreau et al. (1995)
Dielectric constant: 2.65 · 2.6499999999999999
주요 응용: 향료 및 향
화장품 원료 기능: 향수
InChI: 1S/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3
InChIKey: HJFZAYHYIWGLNL-UHFFFAOYSA-N
SMILES: Cc1cncc(C)n1
LogP: 0.64 · 0.64
NIST: 2 · Pyrazine, 2,6-dimethyl-(108-50-9)
EPA: 2 · Pyrazine, 2,6-dimethyl- (108-50-9)

화학적 성질

2,6-Dimethylpyrazine has a nutty, coffee-like odor.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (94.7%): 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 1686 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Pyrazine, 2,6-dimethyl-

Regulation (EC) No 1831/2003 (amended)

2,6-Dimethylpyrazine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (94.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UQ2975000
ridadr: UN 1325 4.1/PG 2
HS 번호: 29339990
risk_code: 10-22-37/38-41-11
hazard_code: Xn,F
safety_code: 16-26-39
포장분류: III
위험 등급: 4.1
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Sol. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationPyrazine, 2,6-dimethyl-: ACTIVE

응용 분야 · 2건

출처Reported found in cocoa products, coffee, diary products, peanuts, pecans, filberts, potato products, rum, whiskey, soy products, tomato puree, baked potato, cooked beef and chicken, mushroom, roasted barley, roasted pecan, tea, and Virginia tobacco; reported found in grilled beef; also a volatile flavor component of potato chips. Also reported found in cheeses, tamarind, coriander seed and corn tortilla

용도2,6-Dimethylpyrazine is used Preparation of chocolate, coffee, meat and nuts and other flavors