uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08648032B2
查看IDENTITY
结构与身份
- 标准SMILES
- C=CCCC(=O)Oc1ccccc1
- InChIKey
- IDAIRHGYBSBTJO-UHFFFAOYSA-N
- 分子式
- C11H12O2
- 平均分子量
- 176.21 g/mol
- 单同位素质量
- 176.08372962
COMPUTED
结构计算性质
- XLogP
- 3
- 极性表面积
- 26.3 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 5
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 169
GHS
GHS分类
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, 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
Regulatory Information
Chemical: 4-Pentenoic acid, phenyl ester;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. the importation volume exceeds one tonne per annum notified chemical;;b. the concentration of the notified chemical exceeds or is intended to exceed 0.57% in fine fragrances, 0.25% in other cosmetic products, 5% in household cleaning products or 5% in air fresheners.;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessmentâit has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.
Status: Active Update: 07-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27392
Hazard Classes and Categories
Acute Tox. 4 (100%);Skin Sens. 1B (100%);Acute Tox. 4 (100%)
REGULATORY
法规信息
Regulatory Information
Chemical: 4-Pentenoic acid, phenyl ester;Specific Information Requirement: Obligations to provide information apply. These obligations are:;1. A person introducing this chemical must tell us in writing within 28 calendar days if any of the following circumstances have occurred in relation to their introduction (importation or manufacture):;a. the importation volume exceeds one tonne per annum notified chemical;;b. the concentration of the notified chemical exceeds or is intended to exceed 0.57% in fine fragrances, 0.25% in other cosmetic products, 5% in household cleaning products or 5% in air fresheners.;2. A person who introduces this chemical must tell us in writing within 28 calendar days if they become aware of any of the following circumstances, namely, that since the assessment under the Industrial Chemicals (Notification and Assessment) Act 1989:;a. the function or use of the chemical has changed, or is likely to change, significantly;;b. the amount of the chemical being introduced has increased, or is likely to increase, significantly;;c. in the case of a chemical not manufactured, or proposed to be manufactured, in Australia at the time of the assessmentâit has begun to be manufactured in Australia;;d. the method of manufacture of the chemical in Australia has changed, or is likely to change, in a way that may result in an increased risk of an adverse effect of the chemical on occupational health and safety, public health or the environment;;e. additional information has become available to the person as to an adverse effect of the chemical on occupational health and safety, public health or the environment.
Status: Active Update: 07-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27392
ALIASES
名称与别名
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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