HRID8391
uspto-grants-2006_08
作为反应物
uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087765B2
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- CC(O)C(=O)c1ccccc1
- InChIKey
- WLVPRARCUSRDNI-UHFFFAOYSA-N
- 分子式
- C9H10O2
- 平均分子量
- 150.17 g/mol
- 单同位素质量
- 150.06807956
COMPUTED
结构计算性质
- XLogP
- 1.4
- 极性表面积
- 37.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 11
- 形式电荷
- 0
- 复杂度
- 136
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 (100%): 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 2 reports by companies from 1 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. 2A (100%)；STOT SE 3 (100%)
ALIASES
名称与别名
2-Hydroxypropiophenone2-hydroxy-1-phenyl-1-propanone5650-40-82-hydroxy-1-phenylpropan-1-onealpha-hydroxypropiophenone1-Propanone, 2-hydroxy-1-phenyl-1-phenyl-2-hydroxy-1-propanoneG5VB9JW33LCHEBI:63553DTXSID80871139RefChem:473494DTXCID70818811227-091-1EINECS 227-091-1AI3-20420alpha-hydroxy-propiophenonePropiophenone, 2-hydroxy-1-Hydroxyethyl phenyl ketoneSCHEMBL27003SCHEMBL96304
REACTIONS
参与反应
HRID146969
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HRID236875
uspto-grants-1979_06
作为生成物
uspto-grants-1979_06 · 10.6084/m9.figshare.5104873.v1 · US04158094
查看条件与参与物HRID305171
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HRID322558
uspto-grants-2001_04
作为反应物
uspto-grants-2001_04 · 10.6084/m9.figshare.5104873.v1 · US06211245B1
查看条件与参与物HRID353284
uspto-grants-2004_06
作为反应物
uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · US06750244B2
查看条件与参与物HRID669806
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看条件与参与物HRID732176
uspto-grants-2009_09
作为生成物
uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07585880B2
查看条件与参与物