uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05734053
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IDENTITY
结构与身份
- 标准SMILES
- CCOc1ccccc1C(=O)O
- InChIKey
- XDZMPRGFOOFSBL-UHFFFAOYSA-N
- 分子式
- C9H10O3
- 平均分子量
- 166.17 g/mol
- 单同位素质量
- 166.06299418
COMPUTED
结构计算性质
- XLogP
- 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
- 12
- 形式电荷
- 0
- 复杂度
- 156
GHS
GHS分类
GHS Classification
Warning
H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (78.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 14 reports by companies from 6 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
Chemical: Benzoic acid, 2-ethoxy-
Status: Active Update: 13-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18884；Status: Active Update: 19-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32828
Benzoic acid, 2-ethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Acute Tox. 4 (28.6%)；Skin Irrit. 2 (78.6%)；Eye Irrit. 2A (100%)；STOT SE 3 (42.9%)
REGULATORY
法规信息
Regulatory Information
Chemical: Benzoic acid, 2-ethoxy-
Status: Active Update: 13-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/18884；Status: Active Update: 19-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32828
Benzoic acid, 2-ethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
USES
用途与制造
General Manufacturing Information
Benzoic acid, 2-ethoxy-: ACTIVE
ALIASES
名称与别名
2-Ethoxybenzoic acid134-11-2o-Ethoxybenzoic acidBenzoic acid, 2-ethoxy-Benzoic acid, o-ethoxy-5IN9FDI7TTortho-Ethoxybenzoic acidNSC-406710DTXSID3059638RefChem:86834DTXCID2034176205-130-3MFCD00002438Benzoic acid, ethoxy-Ethoxybenzoic acid2-Ethoxybenzoic Acid; NSC 406710; o-Ethoxybenzoic Acid2-EthoxybenzoicacidEINECS 205-130-32-ethoxybenzoic-acidNSC 406710
REACTIONS
参与反应
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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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