Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
- InChIKey
- UTOPWMOLSKOLTQ-UHFFFAOYSA-N
- 分子式
- C28H56O2
- 平均分子量
- 424.7 g/mol
- 单同位素质量
- 424.42803102
COMPUTED
结构计算性质
- XLogP
- 12.9
- 极性表面积
- 37.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 26
- 重原子
- 30
- 形式电荷
- 0
- 复杂度
- 327
PROPERTIES
实验与物化性质
Melting Point
90.9 °C
Physical Description
White flakes; [Sigma-Aldrich MSDS]
Solid
GHS
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.;There is 1 notification provided by 1 of 3 reports by companies with hazard statement code(s).;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
Octacosanoic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Not considered hazardous by GHS classification; [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Acute Tox. 4 (33.3%)
REGULATORY
法规信息
Regulatory Information
Octacosanoic acid: Does not have an individual approval but may be used under an appropriate group standard
PHARMACOLOGY
药理信息
Tissue Locations
Fibroblasts
Cellular Locations
Extracellular;Membrane
Metabolite Pathways
Acylcarnitine Octacosanoylcarnitine
ALIASES
名称与别名
REACTIONS
参与反应
uspto-grants-1990_10 · 10.6084/m9.figshare.5104873.v1 · US04962145
查看uspto-grants-1990_10 · 10.6084/m9.figshare.5104873.v1 · US04962145
查看uspto-grants-1990_10 · 10.6084/m9.figshare.5104873.v1 · US04962145
查看uspto-grants-1990_10 · 10.6084/m9.figshare.5104873.v1 · US04962145
查看uspto-grants-1990_10 · 10.6084/m9.figshare.5104873.v1 · US04962145
查看uspto-grants-1990_10 · 10.6084/m9.figshare.5104873.v1 · US04962145
查看uspto-grants-1990_10 · 10.6084/m9.figshare.5104873.v1 · US04962145
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