Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
6-메틸퀴놀린
6-메틸퀴놀린 · 7-bromo-6-chloroquinazolin-4(3H)-one · PARA METHYL QUINOLINE · FEMA 2744 · P-TOLUQUINOLINE · 6-methyquinoline · 6-Methylchinolin · 6-METHYLQUINOLINE
식별자 및 물리적 특성
| CAS No. | 91-62-3 |
|---|---|
| 분자식 | C10H9N |
| 평균 분자량 | 143.18 g/mol |
| 단동위원소 질량 | 143.07349929 g/mol |
| SMILES | Cc1ccc2ncccc2c1 |
| InChIKey | LUYISICIYVKBTA-UHFFFAOYSA-N |
| PubChem CID | 7059 |
| ChEMBL | CHEMBL1412508 |
| ChEBI | CHEBI:140761 |
| EC No. | 202-084-6 |
| DTXSID | DTXSID3020887 |
| 현지명 | 6-메틸퀴놀린 |
화학 및 물리적 성질
| XLogP | 2.6 |
|---|---|
| 극성 표면적 | 12.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 133 |
| SpringerMaterials Properties | Boiling point |
| 향료 | Fragrance Ingredient (6-Methylquinoline) -> IFRA transparency List |
| LogP(분배 계수) | 2.57 |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 1.0654 at 68 °F (NTP, 1992) - Denser than waterwill sink1.060-1.0661.067 g/mL at 20 °C (lit.) |
| 향미제 | EU Flavoring substances |
| 용해도 | less than 1 mg/mL at 63 °F (NTP, 1992)Soluble in benzene and etherSlightly soluble in waterSoluble (in ethanol)클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 인화점 | greater than 235 °F (NTP, 1992)>230 °F |
| 끓는 점 | 497.5 °F at 760 mmHg (NTP, 1992)259.00 to 261.00 °C. @ 760.00 mm Hg259 °C256-260 °C (lit.) |
| 녹는점 | -8 °F (NTP, 1992)-22 °C-22°C |
| 증기압 | 3 mmHg at 75 °F5.6 mmHg at 111 °F10.5 mmHg at 149 °F (NTP, 1992) |
| 굴절률 | 1.611-1.617n20/D 1.614(lit.) |
| 증기 밀도 | >1 (vs air) |
| FEMA | 2744 | 6-METHYLQUINOLINE |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 5.21±0.10(Predicted) |
| 색상 | 녹색-노란색 |
| 비중 | 1.07 |
| 냄새 | 꽃향기, 달콤함, 희석시 동물성 향 |
| 생물학적 소스 | synthetic |
| 향취 유형 | 동물 |
| 용해도 | 물과 섞이거나 혼합하기 어렵지 않습니다. |
| JECFA Number | 1302 |
| BRN | 110336 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3 |
| InChIKey | LUYISICIYVKBTA-UHFFFAOYSA-N |
| SMILES | Cc1ccc2ncccc2c1 |
| LogP(분배 계수) | 2.54 |
| NIST | Quinoline, 6-methyl-(91-62-3) |
| EPA | 6-Methylquinoline (91-62-3) |
화학적 성질
6-Methylquinoline is a clear light yellow to light orange liquid that has a pungent, heavy odor. dissolved in 4 volumes of 50% ethanol or 60% ethanol of the same volume and in oily fragrances. May be synthesized from p-amino-benzaldehyde and acetone.
안전 및 규제
| GHS 분류 | WarningH302 (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 1647 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Quinoline, 6-methyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)6-Methylquinoline: Does not have an individual approval but may be used under an appropriate group standard |
| 화재 위험 | This chemical is probably combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: This compound may be absorbed through the skin and it causes skin irritation. The vapor or mist is irritating to the eyes, mucous membranes and upper respiratory tract. |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Reactivity Profile | 6-METHYLQUINOLINE is sensitive to prolonged exposure to light. May react vigorously with strong oxidizing agents and strong acids (NTP, 1992). Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | Insoluble in water. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 소화 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
용도
출처
Reported found in Finnish and Japanese whiskey.
용도
6-Methylquinoline can be used as primary carbon source in culture of Pseudomonas putida QP1. 6-Methylquinoline was used in the synthesis of fluorescent halide-sensitive quinolinium dyes and fluorescent probes for determination of chloride in biological systems.
일반 설명
Clear pale yellow liquid or oil with a quinoline odor.