2-メチルナフタレン-1-オール

2-Methyl-1-naphthol

HCID 24055CAS 7469-77-4

部分構造検索類似構造を探す

基本情報

標準SMILES: Cc1ccc2ccccc2c1O
InChIKey: SRJCJJKWVSSELL-UHFFFAOYSA-N
分子式: C11H10O
平均分子量: 158.2 g/mol
単同位体質量: 158.07316494

概要

structure in first source

名称と識別子

優先名称: 2-Methyl-1-naphthol
IUPAC: 2-methylnaphthalen-1-ol
現地名: 2-メチルナフタレン-1-オール
英語名: 2-Methyl-1-naphthol
分子式: C11H10O
分子量: 158.2

名称と別名

2-Methyl-1-naphthol7469-77-41-Naphthol, 2-methyl-COU5JQ433INSC-402211DTXSID50225665RefChem:474903DTXCID80148156231-265-22-methylnaphthalen-1-ol1-Naphthalenol, 2-methyl-1-hydroxy-2-methylnaphthalene

名称をさらに表示

2-メチル-1-ナフトール2-メチルナフタレン-1-オールNSC 4022112-Methyl-1-naphthalenol2-Methyl-1-naphthol 98%2-Methyl-1-hydroxynaphthalene

methylnaphtolMFCD000039642-Methyl-alpha-naphthol2-methyl-naphthol2-Methyl-a-naphtholEINECS 231-265-22-Methyl-.alpha.-naphthol2-Methyl-1-naphthol, 98%

データベース識別子

CAS: 7469-77-4
PubChem CID: 24055
DTXSID: DTXSID50225665
ChEMBL: CHEMBL122451
UNII: COU5JQ433I
EC Number: 231-265-2
Nikkaji: J130.656A

物性

構造計算による物性

XLogP: 3.2
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: 0
重原子数: 12
形式電荷: 0
複雑度: 155

実験および物理化学的性質

CosmeticsHair dyeing

物理化学的性質

融点: 64 · 64-66 °C (lit.)
沸点: 304.3 · 304.3±11.0 °C(Predicted)
比重(密度): 1.144 · 1.144±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · -20°C
外見: solid
酸解離定数(Pka): 9.94 · 9.94±0.50(Predicted)
化粧品成分の機能: ヘアカラーリング
InChI: InChI=1S/C11H10O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7,12H,1H3
InChIKey: SRJCJJKWVSSELL-UHFFFAOYSA-N
SMILES: C1(O)=C2C(C=CC=C2)=CC=C1C
LogP: 3.17 · 3.170 (est)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 46.2% (36 of 78) of reports.

Danger

H315 (53.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 78 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (53.8%)

安全データ

wgk: 3
hs_code: 2906290090
risk_code: 37/38-41
hazard_code: Xi
safety_code: 26-39
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

Use ClassificationCosmetics -> Hair dyeing

応用分野 · 2 件

使用2-Methyl-1-naphthol was used in selective synthesis of vitamin K3 via liquid-phase oxidation using NbSBA-15 catalyst.

一般的な説明2-Methyl-1-naphthol undergoes oxidation with molecular oxygen to yield 2-methyl-1,4-naphthoquinone. Mechanism of selective oxidation of 2-methyl-1-naphthol with H2O2 catalyzed by titanium single-site catalysts, TiO2-SiO2 aerogel and mesostructured hydrothermally stable titanium-silicate has been investigated by EPR spectroscopic technique.