HCID78089

3-Hydroxy-4-methoxybenzyl alcohol

5-(hydroxymethyl)-2-methoxyphenol

C8H10O3154.16 g/molCAS 4383-06-6

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IDENTITY

结构与身份

标准SMILES: COc1ccc(CO)cc1O
InChIKey: WHKRHBLAJFYZKF-UHFFFAOYSA-N
分子式: C8H10O3
平均分子量: 154.16 g/mol
单同位素质量: 154.06299418

COMPUTED

结构计算性质

已同步

XLogP: 0.7
极性表面积: 49.7 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 2
重原子: 11
形式电荷: 0
复杂度: 116

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

1477.9

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.7%): 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 7 reports by companies from 3 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.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Benzenemethanol, 3-hydroxy-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (85.7%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Benzenemethanol, 3-hydroxy-4-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

ALIASES

名称与别名

共 45 条

3-Hydroxy-4-methoxybenzyl alcohol5-(Hydroxymethyl)-2-methoxyphenolBenzenemethanol, 3-hydroxy-4-methoxy-DTXSID40195949EINECS 224-489-7NSC 93802RefChem:502432DTXCID30118440224-489-74383-06-6Isovanillyl alcohol3-Hydroxy-4-methoxybenzylalcoholMFCD000046445-hydroxymethyl-2-methoxyphenol4-Methoxy-3-hydroxy benzyl alcoholNSC-938023-Hydroxy-4-methoxybenzenemethanolNSC93802FSA5FY5PE7SCHEMBL347472

REACTIONS

参与反应

18 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723460

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uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05646143

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06297264B1

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08871980B2

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uspto-grants-1998_01 · 10.6084/m9.figshare.5104873.v1 · US05705658

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uspto-grants-1996_09 · 10.6084/m9.figshare.5104873.v1 · US05559111

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uspto-grants-2011_07 · 10.6084/m9.figshare.5104873.v1 · US07981460B2

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