HRID105634
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IDENTITY
结构与身份
- 标准 SMILES
- Cc1cc(C)cc(OCC(=O)O)c1
- InChIKey
- NIPZZANLNKBKIS-UHFFFAOYSA-N
- 分子式
- C10H12O3
- 平均分子量
- 180.2 g/mol
- 单同位素质量
- 180.07864424
COMPUTED
结构计算性质
- XLogP
- 2.2
- 极性表面积
- 46.5 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 169
GHS
GHS 分类
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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
Acute Tox. 4 (97.5%)；Eye Irrit. 2A (100%)
ALIASES
名称与别名
3,5-Xylyloxyacetic acidAI3-16550EINECS 226-462-5Acetic acid, (3,5-dimethylphenoxy)-DTXSID60202381NSC 5306RefChem:487120DTXCID60124872226-462-52-(3,5-dimethylphenoxy)acetic acid5406-14-4(3,5-dimethylphenoxy)acetic acid(3,5-Dimethyl-phenoxy)-acetic acidMFCD000217553,5-DIMETHYLPHENOXYACETIC ACIDLVN5RHE3B8NSC-5306NSC5306Acetic acid, 2-(3,5-dimethylphenoxy)-UNII-LVN5RHE3B8
REACTIONS
参与反应
HRID199853
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
查看条件与参与物HRID311488
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HRID366989
uspto-grants-2000_10
作为反应物
uspto-grants-2000_10 · 10.6084/m9.figshare.5104873.v1 · US06133191
查看条件与参与物HRID379330
uspto-grants-2001_10
作为反应物
uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06297387B1
查看条件与参与物HRID628153
uspto-grants-2016_04
作为反应物
uspto-grants-2016_04 · 10.6084/m9.figshare.5104873.v1 · US09309283B2
查看条件与参与物HRID1075705
uspto-grants-1999_05
作为反应物
uspto-grants-1999_05 · 10.6084/m9.figshare.5104873.v1 · US05907045
查看条件与参与物HRID1114296
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
作为生成物、反应物
Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
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