6-Methylquinoline (HCID 7059)

概要

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

名称と識別子

優先名称: 6-Methylquinoline
IUPAC: 6-methylquinoline
現地名: 6-メチルキノリン
英語名: 6-Methylquinoline
分子式: C10H9N
分子量: 143.19

名称と別名

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

名称をさらに表示

6-メチルキノリン6,8-ジクロロキノリンp-トルキノリン6-メチルキノリン, 98%7-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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.6
極性表面積: 12.9 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 133

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

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

LogP2.57

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

Density · 2 件

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

1.060-1.066

Flavoring AgentsEU Flavoring substances

物理化学的性質

融点: -22 °C · -22°C
沸点: 256 · 256-260 °C (lit.)
比重(密度): 1.067 g/mL · 1.067 g/mL at 20 °C (lit.)
蒸気密度: 1 · >1 (vs air)
屈折率: 20 · n20/D 1.614(lit.)
FEMA: 2744 · 2744 | 6-METHYLQUINOLINE
闪点: 230 °F · >230 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 液体
酸解離定数(Pka): 5.21 · 5.21±0.10(Predicted)
色: 黄緑
比重: 1.07 · 1.07
臭い (Odor): 花の香り、甘い、希釈すると動物性
由来生物: synthetic
においのタイプ: 動物
水溶解度: 水と混和しないか、または混合しにくい。
JECFA Number: 1302 · 1302
BRN: 110336 · 110336
化粧品成分の機能: 香料
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
CAS データベース: 91 · 91-62-3(CAS DataBase Reference)
NISTの化学物質情報: 6 · Quinoline, 6-methyl-(91-62-3)
EPAの化学物質情報: 6 · 6-Methylquinoline (91-62-3)

化学的性質 · 1 件

化学的特性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.

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 3 件

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 · 1 件

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.

安全と保護具

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

First Aid · 1 件

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 · 1 件

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) · 1 件

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)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: VC0550000
hs_code: 29334990
risk_code: 22-38-68-36/37/38
化審法: (5)-796
消防法: 危-4-3-III
hazard_code: Xn
safety_code: 26-36-45-36/37/39
Hazard Classifications: Acute Tox. 4 OralSkin Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Use Classification · 4 件

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

応用分野 · 4 件

用途香料・香辛料

天然物の起源Reported found in Finnish and Japanese whiskey.

使用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.

一般的な説明Clear pale yellow liquid or oil with a quinoline odor.

調製方法

純化方法Reflux it with BaO, then fractionally distil it. Further purified it via its recrystallised ZnCl2 complex (m 190o). [Cumper et al. J Chem Soc 1176 1962, Beilstein 20 III/IV 3498, 20/7 V 400.]