4-n-プロピルカテコール

4-Propyl-1,2-benzenediol

HCID 97638CAS 2525-02-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCc1ccc(O)c(O)c1
InChIKey: SCTPZNJTGOGSQD-UHFFFAOYSA-N
分子式: C9H12O2
平均分子量: 152.19 g/mol
単同位体質量: 152.08372962

名称と識別子

優先名称: 4-Propyl-1,2-benzenediol
IUPAC: 4-propylbenzene-1,2-diol
現地名: 4-n-プロピルカテコール
英語名: 4-propylcatechol
分子式: C9H12O2
分子量: 152.19

名称と別名

4-Propylcatechol2525-02-24-Propyl-1,2-benzenediolGY7REF7DMBNSC-138937DTXSID60179903RefChem:526568DTXCID801023944-propylbenzene-1,2-diolMFCD008709851,2-Benzenediol, 4-propyl-4-propyl catechol

名称をさらに表示

4-プロピル-1,2-ベンゼンジオール4-プロピルカテコール4-プロピルベンゼン-1,2-ジオール4-プロピルピロカテコール4-n-プロピルカテコール4-Propylbenzen-1,2-diol1,2-Benzenediol,4-propyl-

4-n-propylcatecholUNII-GY7REF7DMB2-hydroxy-4-propylphenol4-propyl-2-hydroxyphenol4-propyl-1,2- benzenediolSCHEMBL57143orb3023743SCHEMBL5833388

データベース識別子

CAS: 2525-02-2
PubChem CID: 97638
DTXSID: DTXSID60179903
UNII: GY7REF7DMB
EC Number: 688-464-6
Nikkaji: J532.721K

物性

構造計算による物性

XLogP: 2.4
極性表面積: 40.5 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 114

物理化学的性質

融点: 60 °C · 60°C
沸点: 234.66 °C · 234.66°C (rough estimate)
比重(密度): 1.1 · 1.1000
屈折率: 1.444 · 1.4440 (estimate)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (66.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]；H412 (33.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationStatus: Active Update: 18-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/23089

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)；Aquatic Chronic 2 (66.7%)；Aquatic Chronic 3 (33.3%)