结构:CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
HCID10470

Octacosanoic acid

C28H56O2424.7 g/molCAS 506-48-9

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

已同步
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

来源:PubChem
Melting Point

90.9 °C

Physical Description

White flakes; [Sigma-Aldrich MSDS]

Solid

GHS

GHS 分类

来源:PubChem
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

来源:PubChem
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

来源:PubChem
Regulatory Information

Octacosanoic acid: Does not have an individual approval but may be used under an appropriate group standard

PHARMACOLOGY

药理信息

来源:PubChem
Tissue Locations

Fibroblasts

Cellular Locations

Extracellular;Membrane

Metabolite Pathways

Acylcarnitine Octacosanoylcarnitine

ALIASES

名称与别名

53
OCTACOSANOIC ACID506-48-9Montanic acidn-octacosanoic acid4BKL1A0KJYNSC-407311DTXSID2075051CHEBI:31001RefChem:167558DTXCID7040863208-041-8octacosoic acidMFCD00002812n-octacosanoateFA 28:0octacosanoicacidC28:0UNII-4BKL1A0KJYoctacosoateOctacosansaeure

REACTIONS

参与反应

10
HRID687387

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

作为生成物、反应物
HRID 687387 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