CAS 699-02-5 4-Methylphenethyl alcohol (HCID 95294)

名称と識別子

優先名称: 4-Methylphenethyl alcohol
IUPAC: 2-(4-methylphenyl)ethanol
現地名: 2-(4-メチルフェニル)エタノール
英語名: 2-(4-Methylphenyl)ethanol
分子式: C9H12O
分子量: 136.19

名称と別名

699-02-52-(4-Methylphenyl)ethanol4-Methylphenethyl alcohol2-p-TolylethanolBenzeneethanol, 4-methyl-p-Methylphenethyl alcohol4-Methylbenzeneethanol2-(p-Methylphenyl)ethanolPhenethyl alcohol, p-methyl-p-Methylphenylethyl alcoholNSC 5295NSC 54360

名称をさらに表示

4-メチルフェネチルアルコール2-(4-メチルフェニル)エタノールp-メチルフェネチルアルコール4-メチルベンゼンエタノール2-(p-トリル)エタノール2-(4-メチルフェニル)エチルアルコール2-(4-メチルフェニル)エタノール, 99%2-(P-TOLYL)ETHANOLtridecyl sulfate2-(p-Tolyl)ethanol>P-Methylphenylethanol4-methyl-benzeneethano4-methyl-Benzeneethanol

NSC-5295GG36R9LNV84-methylphenethanolP-(2-HYDROXYETHYL)TOLUENE4-methyl-1-(2-hydroxyethyl)benzeneEINECS 211-824-7NSC-54360AI3-05848

データベース識別子

CAS: 699-02-5
PubChem CID: 95294
DTXSID: DTXSID6061020
UNII: GG36R9LNV8
EC Number: 211-824-7
Nikkaji: J60.248E

物性

構造計算による物性

XLogP: 1.9
極性表面積: 20.2 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: 2
重原子数: 10
形式電荷: 0
複雑度: 82.7

実験および物理化学的性質

FragrancesFragrance Ingredient (2-p-Tolylethanol) -> IFRA transparency List

物理化学的性質

沸点: 244 · 244-245 °C(lit.)
比重(密度): 0.978 g/mL · 0.978 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.526(lit.)
闪点: 225 °F · 225 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
酸解離定数(Pka): 14.92 · 14.92±0.10(Predicted)
比重: 0.978 · 0.978
色: Colorless to Light yellow to Light orange
臭い (Odor): 100 %で。フローラルバルサミコローズグリーン · 100.00%で。フローラルバルサミコローズグリーン
においのタイプ: 花柄
化粧品成分の機能: 香料
InChI: InChI=1S/C9H12O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,10H,6-7H2,1H3
InChIKey: DAVFJRVIVZOKKS-UHFFFAOYSA-N
SMILES: C1(CCO)=CC=C(C)C=C1
LogP: 2.032 · 2.032 (est)
CAS データベース: 699 · 699-02-5(CAS DataBase Reference)
EPAの化学物質情報: 4 · Benzeneethanol, 4-methyl- (699-02-5)

化学的性質

化学的特性Colorless to faintly Light yellow to Light orange clear liquid.

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.

Not Classified

Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationChemical: Benzeneethanol, 4-methyl-

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and CategoriesNot Classified

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29062990
化審法: (3)-1068
消防法: 危-4-3-III
safety_code: 24/25
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

Use ClassificationFragrance Ingredients

General Manufacturing InformationBenzeneethanol, 4-methyl-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

説明2-(4-Methylphenyl)ethanol, also known as 4-Methylphenethyl alcohol, 2-(p-Tolyl)ethanol, is an oily liquid that can promote bile secretion and protect the liver. It is capable of transporting fat from the liver to the extrahepatic fat pool via the bloodstream and has demonstrated a significant inhibitory effect on liver cell destruction caused by alcoholism.

使用4-Methylphenethyl alcohol was used in the determination of adducts of 1,2- and 1,4-benzoquinone with cysteine residues of hemoglobin and albumin.

調製方法 · 1 件

製造方法To prepare 2-(4-Methylphenyl)ethanol, start with 4'-Methylacetophenone as the raw material. Reduce it to 4-methyl-α-phenylethanol using sodium borohydride in ethanol. Mix nicotinic acid with phosphorus oxychloride in pyridine to create nicotinyl chloride. Without separation, add the nicotinyl chloride to the 4-methyl-α-phenylethanol and esterify it into 2-(4-Methylphenyl)ethanol.