2-エチル-6-メチルフェノール

2-Ethyl-6-methylphenol

HCID 519333

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1687-64-5
標準SMILES: CCc1cccc(C)c1O
InChIKey: CIRRFAQIWQFQSS-UHFFFAOYSA-N
分子式: C9H12O
平均分子量: 136.19 g/mol
単同位体質量: 136.088815

概要

6-Ethyl-o-cresol is a hydroxytoluene.

名称と識別子

優先名称: 2-Ethyl-6-methylphenol
IUPAC: 2-ethyl-6-methylphenol
現地名: 2-エチル-6-メチルフェノール
英語名: 2-Ethyl-6-methylphenol
分子式: C9H12O
分子量: 136.19

名称と別名

2-Ethyl-6-methylphenolPhenol, 2-ethyl-6-methyl-6-Ethyl-o-cresolo-Cresol, 6-ethyl-359WUC62RIUNII-359WUC62RIDTXSID80168596RefChem:86925DTXCID8091087681-418-6CIRRFAQIWQFQSS-UHFFFAOYSA-N1687-64-5

名称をさらに表示

2-エチル-6-メチルフェノール2-メチル-6-エチルフェノール6-エチル-o-クレゾールBUTTPARK 121\08-232-Methyl-6-ethylphenol6-Methyl-2-ethylphenol2-ethyl-6-methylbenzenephenol3-Ethyl-2-hydroxytoluene, 6-Ethyl-o-cresol

MFCD009622922-ethyl-6-methyl-phenol6-ethyl-2-methylphenol2-ethyl-6-methyl phenolCHEBI:196448AKOS022181433HY-W089538E1185

データベース識別子

CAS: 1687-64-5
PubChem CID: 519333
DTXSID: DTXSID80168596
ChEBI: CHEBI:196448
UNII: 359WUC62RI
EC Number: 681-418-6
Nikkaji: J284.007C

物性

構造計算による物性

XLogP: 2.6
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: 1
重原子数: 10
形式電荷: 0
複雑度: 101

物理化学的性質

融点: 48.26 °C · 48.26°C (estimate)
沸点: 96 · 96-98°C/15mm
比重(密度): 0.9809 · 0.9809 (estimate)
屈折率: 1.531 · 1.5310
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
酸解離定数(Pka): 10.62 · 10.62±0.10(Predicted)
色: Light yellow to Brown
Henry's Law Constant: 3.3 · 3.3×100 mol/(m3Pa) at 25℃, Wang et al. (2017)
LogP: 2.93 · 2.930 (est)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.