6-Methylquinoline (HCID 7059)

개요

6-methylquinoline appears as clear pale yellow liquid or oil. (NTP, 1992)

이름 및 식별자

우선 이름: 6-Methylquinoline
IUPAC: 6-methylquinoline
현지명: 6-메틸퀴놀린
영어명: 6-Methylquinoline
분자식: C10H9N
분자량: 143.19

이름 및 동의어

6-METHYLQUINOLINE91-62-3p-ToluquinolineQuinoline, 6-methyl-FEMA No. 2744DTXSID3020887NSC-4152K14453I13NDTXCID50887RefChem:105058202-084-6p-Methylquinoline

이름 더 보기

6-메틸퀴놀린7-bromo-6-chloroquinazolin-4(3H)-onePARA METHYL QUINOLINEFEMA 27446-methyquinoline6-Methylchinolin6-methyl-quinolin6-Methylquinoline50

6-methyl-QuinolineTolliquinoline, p-CCRIS 407NSC 4152MFCD00006804Quinoline, 6-methyl- (8CI,9CI)CAS-91-62-36-methyl quinoline

데이터베이스 식별자

CAS: 91-62-3
PubChem CID: 7059
DTXSID: DTXSID3020887
ChEMBL: CHEMBL1412508
ChEBI: CHEBI:140761
UNII: K14453I13N
EC Number: 202-084-6
Nikkaji: J800A

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 133

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

FragrancesFragrance Ingredient (6-Methylquinoline) -> IFRA transparency List

LogP2.57

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

Density · 2건

1.0654 at 68 °F (NTP, 1992) - Denser than water; will sink

1.060-1.066

Flavoring AgentsEU Flavoring substances

물리화학적 성질

녹는점: -22 °C · -22°C
끓는 점: 256 · 256-260 °C (lit.)
밀도: 1.067 g/mL · 1.067 g/mL at 20 °C (lit.)
증기 밀도: 1 · >1 (vs air)
굴절률: 20 · n20/D 1.614(lit.)
FEMA: 2744 · 2744 | 6-METHYLQUINOLINE
인화점: 230 °F · >230 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 5.21 · 5.21±0.10(Predicted)
색상: 녹색-노란색
Specific Gravity: 1.07 · 1.07
냄새: 꽃향기, 달콤함, 희석시 동물성 향
생물학적 소스: synthetic
냄새 유형: 동물
수용성: 물과 섞이거나 혼합하기 어렵지 않습니다.
JECFA Number: 1302 · 1302
BRN: 110336 · 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: 2.54 · 2.54
NIST: 6 · Quinoline, 6-methyl-(91-62-3)
EPA: 6 · 6-Methylquinoline (91-62-3)

화학적 성질 · 1건

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

GHS Classification · 4건

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 1647 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

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

Fire HazardsThis chemical is probably combustible. (NTP, 1992)

Health HazardsSYMPTOMS: 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.

Reactive GroupAmines, Phosphines, and Pyridines

Reactivity Profile · 1건

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 ReactionsInsoluble in water.

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1건

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.

Nonfire Spill Response · 1건

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.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: VC0550000
HS 번호: 29334990
risk_code: 22-38-68-36/37/38
hazard_code: Xn
safety_code: 26-36-45-36/37/39
기존화학 물질: KE-25326
Hazard Classifications: Acute Tox. 4 OralSkin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsMembrane

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 InformationQuinoline, 6-methyl-: ACTIVE

응용 분야 · 3건

출처Reported found in Finnish and Japanese whiskey.

용도6-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 설명Clear pale yellow liquid or oil with a quinoline odor.