1-(1,3-Dioxaindan-5-yl)ethan-1-ol

HCID 221882CAS 6329-73-3

基本情報

標準SMILES: CC(O)c1ccc2c(c1)OCO2
InChIKey: ZHKALZZEGVFZQA-UHFFFAOYSA-N
分子式: C9H10O3
平均分子量: 166.17 g/mol
単同位体質量: 166.06299418

名称と識別子

優先名称: 1-(1,3-Dioxaindan-5-yl)ethan-1-ol
IUPAC: 1-(1,3-benzodioxol-5-yl)ethanol
英語名: 1-(3,4-METHYLENEDIOXYPHENYL)ETHANOL
分子式: C9H10O3
分子量: 166.17

名称と別名

1-(1,3-dioxaindan-5-yl)ethan-1-olRefChem:419380101-458-56329-73-31-(2H-1,3-benzodioxol-5-yl)ethan-1-ol1-(Benzo[d][1,3]dioxol-5-yl)ethanol1-(1,3-benzodioxol-5-yl)ethanol1-(benzo[d][1,3]dioxol-5-yl)ethan-1-olMFCD111493801-(3,4-methylenedioxyphenyl)ethanolNSC6988METHYLPIPERONYLALKOHOL

名称をさらに表示

1-benzo[1,3]dioxol-5-yl-ethanol1,3-Benzodioxole-5-Methanol, α-Methyl-1,3-Benzodioxole-5-Methanol, alpha-Methyl-1-(2H-1,3-Benzodioxol-5-Yl)Ethan-1-Ol(WX642068)1-(Benzo[d][1,3]dioxol-5-yl)ethan-1-ol - [B93690]

SCHEMBL1155200NSC-6988AKOS000249114AKOS0168442161-[3,4-(Methylenedioxy)phenyl]ethanolEN300-45408W105441,3-Benzodioxole-5-methanol, a-methyl-, (R)-

データベース識別子

CAS: 6329-73-3
PubChem CID: 221882
DTXSID: DTXSID60278304
EC Number: 101-458-5
Nikkaji: J882.477K

物性

構造計算による物性

XLogP: 1.5
極性表面積: 38.7 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 160

物理化学的性質

沸点: 146 · 146-148 °C(Press: 17 Torr)
比重(密度): 1.262 · 1.262±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: solid
酸解離定数(Pka): 14.427 · 14.427±0.20(predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 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.