Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2,6-루티딘
2,6-루티딘 · 2,6-DIMETHYLPYRIDINE · 2,6-Lutidene · utidine · 2,6-Lutdeine · 2,6-Dimethypyridine · FEMA 3540 · 2,6-Lutidine 2,6-Dimethylpyridine
식별자 및 물리적 특성
| CAS No. | 108-48-5 |
|---|---|
| 분자식 | C7H9N |
| 평균 분자량 | 107.15 g/mol |
| 단동위원소 질량 | 107.07349929 g/mol |
| SMILES | Cc1cccc(C)n1 |
| InChIKey | OISVCGZHLKNMSJ-UHFFFAOYSA-N |
| PubChem CID | 7937 |
| ChEMBL | CHEMBL22976 |
| ChEBI | CHEBI:32548 |
| EC No. | 203-587-3 |
| DTXSID | DTXSID7051557 |
| 현지명 | 2,6-루티딘 |
화학 및 물리적 성질
| XLogP | 1.7 |
|---|---|
| 극성 표면적 | 12.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 62.8 |
| 물질 분류 | Nitrogen Compounds -> Pyridines |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| 향료 | Fragrance Ingredient (2,6-Dimethylpyridine) -> IFRA transparency List |
| LogP(분배 계수) | log Kow = 1.681.63 |
| 냄새 | Odor of pyridine plus peppermint디프로필렌 글리콜 중 1.00%. 너티 아민 우디 브레디 코코아 오일리 |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.9252 @ 20 °C/4 °CDENSITY: 0.942 @ 0 °C/4 °C0.917-0.9230.9252 @ 20°C0.92 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| Color/Form | Oily liq |
| 용해도 | Slightly soluble in ethanolsoluble in ethyl ether and acetoneSol in water (% wt/wt): 27.2% @ 45.3 °C18.1% @ 48.1 °C12.1% @ 57.5 °C9.5% @ 74.5 °Cmiscible with dimethylformamide and tetrahydrofuranIn water, 3.00X10+5 mg/l @ 34 °C300 mg/mL at 34 °CSoluble in waterSlightly soluble in fatSoluble (in ethanol)클로로포름, 메탄올(약간)에 용해됨 |
| 인화점 | 33 °C92 °F |
| 끓는 점 | 144 °C @ 760 mm Hg143.00 to 145.00 °C. @ 760.00 mm Hg143-145 °C144 °C @760 [mm Hg]143-145 °C (lit.) |
| 녹는점 | -6 °C (lit.) |
| 증기압 | 5.5 hPa (20 °C) |
| FEMA | 3540 | 2,6-DIMETHYLPYRIDINE |
| 굴절률 | n20/D 1.497(lit.) |
| 저장 조건 | −20°C |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 6.65(at 25℃) |
| 색상 | 투명한 |
| 향취 유형 | 견과류 |
| 생물학적 소스 | synthetic |
| 용해도 | 40g/100mL(20℃) |
| 비열 | Cp(liquid): 1.73 J/(g·K), at 25℃ |
| JECFA Number | 1317 |
| Merck | 14,5616 |
| BRN | 105690 |
| 헨리 상수 | 9.2×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 유전율 | 7.3300000000000001 |
| 안정성 | 안정적인. 가연성. 강한 산화제, 산성 염화물, 산, 클로로포름산염과 호환되지 않습니다. 습기로부터 보호하십시오. |
| 주요 응용 | 향료 및 향 |
| InChI | 1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3 |
| InChIKey | OISVCGZHLKNMSJ-UHFFFAOYSA-N |
| SMILES | Cc1cccc(C)n1 |
| LogP(분배 계수) | 0.12 at 25℃ |
| NIST | Pyridine, 2,6-dimethyl-(108-48-5) |
| EPA | 2,6-Dimethylpyridine (108-48-5) |
화학적 성질
Colorless to yellow liquid
안전 및 규제
| GHS 분류 | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 338 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H226: Flammable liquid and vapor [Warning Flammable liquids] |
|---|---|
| 규제 정보 | Chemical: Pyridine, 2,6-dimethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Pyridine, 2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyridine, 2,6-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 28-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33333Pyridine, 2,6-dimethyl-: HSNO Approval: HSR001389 Approved with controls |
| 운송 라벨(DOT) | Corrosive Flammable Liquid |
| 화재 위험 | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| 건강 유해성 | Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]: |
| 유해성 요약 | Emergency treatment: PyridinePyridine is an irritant that causes CNS depression after ingestion of 1/2 cup or inhalation of 6-12 ppmIt can cause liver and kidney injury[HSDB] Safe when used as a flavoring agent in food[JECFA] An irritant[MSDSonline] See Pyridine. |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Special Reports | REVIEW OF 2,6-DIMETHYLPYRIDINEHAZARDS, USES & RECOMMENDATIONS FOR STORAGE & HANDLING & MEDICAL TREATMENT IN CASE OF ACCIDENTS.[MOREL C ET ALCAH NOTES DOC 99: 319 (1980)] |
용도
출처
Reported found in bread, tea, peppermint oil, cheeses, chicken, beef, pork, beer, sherry, whiskies, cocoa, coffee, tea, oatmeal, rice bran, buckwheat and malt.
용도
2,6-Lutidine is used as a solvent in organic synthesis and as a sterically hindered mild base. It is also used as a vulcanization accelerator for dyes, resins and rubber. It also acts as a food additive.
일반 설명
A colorless liquid with a peppermint odor. Flash point 92°F. Less dense than water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion. Used to make other chemicals.