CAS 91-61-2 6-Methyl-1,2,3,4-tetrahydroquinoline (HCID 66678)

概要

structure in first source

名称と識別子

優先名称: 6-Methyl-1,2,3,4-tetrahydroquinoline
IUPAC: 6-methyl-1,2,3,4-tetrahydroquinoline
現地名: 6-メチル-1,2,3,4-テトラヒドロキノリン
英語名: 6-METHYL-1,2,3,4-TETRAHYDROQUINOLINE
分子式: C10H13N
分子量: 147.22

名称と別名

6-Methyl-1,2,3,4-tetrahydroquinoline91-61-21,2,3,4-Tetrahydro-6-methylquinolinep-MethyltetrahydroquinolineQuinoline, 1,2,3,4-tetrahydro-6-methyl-DTXSID60474440I67838Y8KNSC-65606DTXCID4027444MTHQ-6 cpdRefChem:104974202-083-0

名称をさらに表示

6-メチル-1,2,3,4-テトラヒドロキノリン1,2,3,4-テトラヒドロ-6-メチルキノリンシベタールシベタルシベッタール6-メチル1.2,3,4-テトラヒドロキノリンAKOS BB-9794AKOS B016030ART-CHEM-BB B0160306-ethoxy-2-methyl-2-hexanol6-methyltetrahydroquinolinePara-Methyl TetrahydroquinolineTETRAHYDRO PARA METHYL QUINOLINE

CivettalMFCD00023887130870-84-7UNII-0I67838Y8K6-methyl-1,2,3,4-tetrahydro-quinoline6-Methyl-1,3,4-tetrahydroquinolineFS-5625Quinoline,2,3,4-tetrahydro-6-methyl-

データベース識別子

CAS: 91-61-2
PubChem CID: 66678
DTXSID: DTXSID6047444
ChEMBL: CHEMBL3188227
UNII: 0I67838Y8K
EC Number: 202-083-0
Nikkaji: J39.746F

物性

構造計算による物性

XLogP: 2.7
極性表面積: 12 Å²
水素結合供与体数: 1
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 PropertiesChemical shift

FragrancesFragrance Ingredient (p-Methyltetrahydroquinoline) -> IFRA transparency List

Collision Cross Section134.5 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6047444]

物理化学的性質

融点: 36 · 36-38°C
沸点: 262 · 262-263°C 712mm
比重(密度): 0.99 · 0.990±0.06 g/cm3(Predicted)
闪点: 262 · 262-263°C/712mm
貯蔵温度: 2 · 2-8°C, protect from light
酸解離定数(Pka): 5.69 · 5.69±0.20(Predicted)
臭い (Odor): 1 %。動物用ジャコウネコ革アンバーグリス · ジプロピレングリコール中1.00%。動物用ジャコウネコ革アンバーグリス
においのタイプ: 動物
水溶解度: 水に不溶。
BRN: 122515 · 122515
化粧品成分の機能: 香料
LogP: 2.937 · 2.937 (est)
CAS データベース: 91 · 91-61-2(CAS DataBase Reference)
EPAの化学物質情報: 6 · 6-Methyl-1,2,3,4-tetrahydroquinoline (91-61-2)

化学的性質

化学的特性Yellowish crystals; strong, civet-like odor. Soluble in 2 parts of 80% alcohol. Combustible.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (99.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1680 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Quinoline, 1,2,3,4-tetrahydro-6-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Quinoline, 1,2,3,4-tetrahydro-6-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (99.9%)

安全データ

tsca: TSCA listed
hs_code: 2933499090
risk_code: 20/21/22
化審法: (5)-803
safety_code: 26-36/37/39

化学と産業

用途と製造

IFRA Fragrance Standards · 6 件

p-Methyltetrahydroquinoline

6-Methyl-1,2,3,4-tetrahydroquinoline; Quinoline, 1,2,3,4-tetrahydro-6-methyl-; 1,2,3,4-Tetrahydro-6-methylquinoline; Tetrahydro-p-methylquinoline

IFRA_STD_215.pdf

44

IFRA 51st Amendment - Guidance for the use of IFRA Standards

Specification: This material should be used only if it meets the criteria stated in the Standard

Use ClassificationFragrance Ingredients

General Manufacturing InformationQuinoline, 1,2,3,4-tetrahydro-6-methyl-: ACTIVE

応用分野

使用6-Methyl-1,2,3,4-tetrahydroquinoline is used as pharmaceutical intermediate.

調製方法

製造方法Tetra Hydro Para Methyl Quinoline is prepared from 6-Methylquinoline hydrochloride by reduction with nascent Hydrogen, followed by neutralization.