HRID8840
uspto-grants-2006_08
作为生成物
uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091219B2
查看条件与参与物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
- XLogP
- 1.5
- 极性表面积
- 57.5 Ų
- 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
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
Hazard Classes and Categories
Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (15.2%)
ALIASES
名称与别名
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
HRID8841
uspto-grants-2006_08
作为反应物
uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091219B2
查看条件与参与物HRID8842
uspto-grants-2006_08
作为反应物
uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07091219B2
查看条件与参与物HRID29183
uspto-grants-2008_09
作为反应物
uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07419967B2
查看条件与参与物HRID93432
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为生成物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物HRID104686
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为生成物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物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
查看条件与参与物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
查看条件与参与物