HCID5013205

1,4-Benzenediethanol

2-[4-(2-hydroxyethyl)phenyl]ethanol

C10H14O2166.22 g/molCAS 5140-03-4

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IDENTITY

结构与身份

标准SMILES: OCCc1ccc(CCO)cc1
InChIKey: LBZZJNPUANNABV-UHFFFAOYSA-N
分子式: C10H14O2
平均分子量: 166.22 g/mol
单同位素质量: 166.09937969

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 40.5 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 4
重原子: 12
形式电荷: 0
复杂度: 92

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Eye Irrit. 2 (100%)

ALIASES

名称与别名

共 23 条

1,4-Benzenediethanol5140-03-4DTXSID60407516RefChem:220031DTXCID703583681,4-Bis(2-hydroxyethyl)benzene2-[4-(2-hydroxyethyl)phenyl]ethanolMFCD006665482,2'-(1,4-phenylene)bis(ethan-1-ol)2-[4-(2-hydroxyethyl)phenyl]ethan-1-ol2,2'-(1,4-phenylene)diethanol1,4-Phenylenediethanol2,2'-p-phenylenediethanolSCHEMBL40656orb3176308SCHEMBL10540891AKOS0052562702,2'-(1,4-Phenylene)di(ethan-1-ol)DB-0519571,4-Bis(2-hydroxyethyl)benzene, AldrichCPR

REACTIONS

参与反应

9 条

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07557126B2

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uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07557126B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08629271B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08629271B2

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2007_07 · 10.6084/m9.figshare.5104873.v1 · US07250414B2

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uspto-grants-2007_07 · 10.6084/m9.figshare.5104873.v1 · US07250414B2

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uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08148373B2

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