HRID21406
uspto-grants-1995_06
作为反应物
uspto-grants-1995_06 · 10.6084/m9.figshare.5104873.v1 · US05422358
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- COc1cc(CCO)ccc1O
- InChIKey
- XHUBSJRBOQIZNI-UHFFFAOYSA-N
- 分子式
- C9H12O3
- 平均分子量
- 168.19 g/mol
- 单同位素质量
- 168.07864424
COMPUTED
结构计算性质
- XLogP
- 0.5
- 极性表面积
- 49.7 Ų
- 氢键供体
- 2
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 127
PROPERTIES
实验与物化性质
LogP
0.47
Melting Point
40 - 42 °C
Physical Description
Solid
Kovats Retention Index
1534；1542；1526；1530
2830；2830；2807；2786；2805；2802
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 39 reports by companies from 2 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 (100%)
PHARMACOLOGY
药理信息
Cellular Locations
Cytoplasm；Extracellular
ALIASES
名称与别名
Homovanillyl alcohol2380-78-14-(2-Hydroxyethyl)-2-methoxyphenol3-METHOXY-4-HYDROXYPHENYLETHANOLBenzeneethanol, 4-hydroxy-3-methoxy-MOPET9A7EE8MS6ADTXSID40178494MHPERefChem:788469Hydroxymethoxyphenethyl AlcoholAlcohol, Hydroxymethoxyphenethyl3 Methoxy 4 hydroxyphenylethanolDTXCID70100985219-175-1Methoxyhydroxyphenylethanol4-Hydroxy-3-methoxyphenethanolVanillylmethanolGuaiacyl ethanol4-(2-Hydroxyethyl)guaiacol
REACTIONS
参与反应
HRID107139
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物HRID173270
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HRID405013
uspto-grants-2014_06
作为反应物
uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748648B2
查看条件与参与物HRID405016
uspto-grants-2014_06
作为反应物
uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748648B2
查看条件与参与物HRID506863
uspto-grants-2010_08
作为反应物
uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07786119B2
查看条件与参与物HRID547997
uspto-grants-2011_05
作为反应物
uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07939689B2
查看条件与参与物HRID625988
uspto-grants-2016_04
作为反应物
uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09309179B2
查看条件与参与物