n-Octanoyl-5-salicylic acid 分子结构式
HCID9838158

n-Octanoyl-5-salicylic acid

2-hydroxy-5-octanoylbenzoic acid

C15H20O4264.32 g/molCAS 78418-01-6

IDENTITY

结构与身份

标准SMILES
CCCCCCCC(=O)c1ccc(O)c(C(=O)O)c1
InChIKey
IXIGWKNBFPKCCD-UHFFFAOYSA-N
分子式
C15H20O4
平均分子量
264.32 g/mol
单同位素质量
264.13615911

COMPUTED

结构计算性质

已同步
XLogP
5.2
极性表面积
74.6 Ų
氢键供体
2
氢键受体
4
可旋转键
8
重原子
19
形式电荷
0
复杂度
301

GHS

GHS分类

GHS Classification

Danger

H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 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-hydroxy-5-(1-oxooctyl)-;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 introduction volume of the chemical exceeds 1 tonne per annum;b. the concentration of the chemical exceeds or is intended to exceed 0.5% in cosmetic products;c. information of the potential of the chemical to cause increased sun sensitivity becomes available;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: 25-09-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/9335;Status: Active Update: 01-10-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/1269

Hazard Classes and Categories

Skin Sens. 1 (100%);Eye Dam. 1 (100%);STOT SE 3 (100%);Aquatic Chronic 3 (100%)

Skin Sens. 1 (97.6%);Eye Dam. 1 (97.6%)

TOXICITY

毒理信息

Toxicity Summary

The CIR Expert Panel concluded that the available data are insufficient to make a determination that Capryloyl Salicylic Acid is safe under the intended conditions of use in cosmetic formulations.

The available data are insufficient to support safety

REGULATORY

法规信息

Regulatory Information

Chemical: Benzoic acid, 2-hydroxy-5-(1-oxooctyl)-;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 introduction volume of the chemical exceeds 1 tonne per annum;b. the concentration of the chemical exceeds or is intended to exceed 0.5% in cosmetic products;c. information of the potential of the chemical to cause increased sun sensitivity becomes available;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: 25-09-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/9335;Status: Active Update: 01-10-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/1269

USES

用途与制造

Uses

CIR ingredient: Capryloyl Salicylic Acid

Use Classification

Cosmetics -> Skin conditioning

ALIASES

名称与别名

共 37 条
78418-01-65-Octanoylsalicylic acid5F7PJF6AA4MEXORYL SABO-octanoyloxybenzoic acidRefChem:830873n-octanoyl-5-salicylic acidDr.Different VITAACNAL TX Night417-790-12-octanoyloxybenzoic acidCapryloyl Salicylic Acid2-hydroxy-5-octanoylbenzoic acidBenzoic acid, 2-hydroxy-5-(1-oxooctyl)-MFCD118462472-hydroxy-5-octanoyl-benzoic Acid2-Hydroxy-5-n-octanoylbenzoic Acid2-hydroxy-5-(1-oxooctyl)Benzoic acidUNII-5F7PJF6AA4beta-Lipohydroxy acid5-octanoylsalicylic-acid

REACTIONS

相关反应

7
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HRID 846716 反应方程式

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HRID 1222156 反应方程式

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HRID 1398273 反应方程式

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HRID 1398276 反应方程式

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HRID 1417058 反应方程式

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