结构:C=CCCC(=O)Oc1ccccc1
HCID15255467

Phenyl pent-4-enoate

C11H12O2176.21 g/molCAS 51231-09-5

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

已同步
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

来源:PubChem
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

来源:PubChem
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 assessment—it 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

来源:PubChem
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 assessment—it 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

10
phenyl pent-4-enoate51231-09-5DTXSID00570531RefChem:369717DTXCID20521303812-668-8phenyl 4-pentenoatephenyl(4-pentenoate)SCHEMBL114036SCHEMBL6591141

REACTIONS

参与反应

6
HRID663572

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物
HRID 663572 方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看条件与参与物