HCID252023

3-Hydroxy-2-methylbenzoic Acid

C8H8O3152.15 g/molCAS 603-80-5

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IDENTITY

结构与身份

标准SMILES: Cc1c(O)cccc1C(=O)O
InChIKey: RIERSGULWXEJKL-UHFFFAOYSA-N
分子式: C8H8O3
平均分子量: 152.15 g/mol
单同位素质量: 152.04734411

COMPUTED

结构计算性质

已同步

XLogP: 1.5
极性表面积: 57.5 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 155

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 (15.2%): 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 46 reports by companies from 5 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

Hazard Classes and Categories

Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (15.2%)

ALIASES

名称与别名

共 41 条

3-Hydroxy-2-methylbenzoic AcidDTXSID50291103RefChem:502336DTXCID80242249629-955-7603-80-53-Hydroxy-o-toluic Acid3-Hydroxy-2-methyl benzoic acid2-Methyl-3-hydroxybenzoic acid3,2-Cresotic acidBenzoic acid, 3-hydroxy-2-methyl-MFCD006715413-Hydroxy-2-Methyl-Benzoic AcidNSC-731333-Hydroxy-2-methylbenzoicacidKresolsaure3,2-Cresotic Acid; 2-Methyl-3-hydroxybenzoic Acid; NSC 73133;NSC73133PF0BVN4R6FAM5

REACTIONS

参与反应

118 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID8841

uspto-grants-2006_08

作为反应物

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091219B2

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HRID8842

uspto-grants-2006_08

作为反应物

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091219B2

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HRID29183

uspto-grants-2008_09

作为反应物

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07419967B2

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HRID136148

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID141388

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID190867

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID191965

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID208041

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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