HRID919
uspto-grants-1998_03
作为反应物
uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05723460
查看条件与参与物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
- XLogP
- 0.7
- 极性表面积
- 49.7 Ų
- 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
Kovats Retention Index
1477.9
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 (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
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
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
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
HRID264945
uspto-grants-1997_07
作为反应物
uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05646143
查看条件与参与物HRID308270
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看条件与参与物HRID379003
uspto-grants-2001_10
作为反应物
uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06297264B1
查看条件与参与物HRID725642
uspto-grants-1998_01
作为反应物
uspto-grants-1998_01 · 10.6084/m9.figshare.5104873.v1 · US05705658
查看条件与参与物HRID744838
uspto-grants-1996_09
作为反应物
uspto-grants-1996_09 · 10.6084/m9.figshare.5104873.v1 · US05559111
查看条件与参与物HRID1012884
uspto-grants-2011_07
作为反应物
uspto-grants-2011_07 · 10.6084/m9.figshare.5104873.v1 · US07981460B2
查看条件与参与物HRID1217155
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看条件与参与物