Tetracosanoic Acid 分子结构式
HCID11197

Tetracosanoic Acid

C24H48O2368.6 g/molCAS 557-59-5

IDENTITY

结构与身份

标准SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIKey
QZZGJDVWLFXDLK-UHFFFAOYSA-N
分子式
C24H48O2
平均分子量
368.6 g/mol
单同位素质量
368.36543077

COMPUTED

结构计算性质

已同步
XLogP
10.7
极性表面积
37.3 Ų
氢键供体
1
氢键受体
2
可旋转键
22
重原子
26
形式电荷
0
复杂度
275

PROPERTIES

实验与物化性质

来源:PubChem
Melting Point

84.2 °C

Physical Description

Solid; [Merck Index] White solid; [Sigma-Aldrich MSDS]

Solid

Ionization Efficiency

Positive

0.71

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Kovats Retention Index

2685

2760

Collision Cross Section

199.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]

216.86 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field];200.57 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

201.11 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

197.93 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

215.5 Ų [M+Na]+;199.9 Ų [M-H]-;200.9 Ų [M-H]-

GHS

GHS分类

来源:PubChem
GHS Classification

This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 40 reports by companies.;There are 2 notifications provided by 39 of 40 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

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

Hazards Summary

A skin and strong eye irritant; [Sigma-Aldrich MSDS]

EPA Safer Chemical

Chemical: Lignoceric acid; Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.

Hazard Classes and Categories

Skin Irrit. 2 (97.5%);Eye Irrit. 2 (97.5%);STOT SE 3 (95%)

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Tetracosanoic 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

Cytoplasm;Extracellular;Membrane;Peroxisome

Metabolite Pathways

Adrenoleukodystrophy, X-linked;Biosynthesis of unsaturated fatty acids;Carnitine-acylcarnitine translocase deficiency

USES

用途与制造

来源:PubChem
Uses

Found in the seed fat of the Indian tree Adenanthera pavonina and in most natural fats; Obtained from beechwood tar or by distillation of rotten oak wood; [Merck Index]

Use Classification

EPA Safer Chemical Functional Use Classes -> Surfactants

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

General Manufacturing Information

Tetracosanoic acid: ACTIVE

ALIASES

名称与别名

共 64 条
Tetracosanoic acidLignoceric acid557-59-5N-TETRACOSANOIC ACIDRK3VCW5Y1LDTXSID6021664CHEBI:28866fatty acid 24:0RefChem:153409DTXCID701664209-180-7MFCD00002810FA 24:0N-Lignocericacidtetracosanoic acid (lignoceric acid)UNII-RK3VCW5Y1LLignozerinsaeureTetracosansaeureCarnaubic acidlingnoceric acid

REACTIONS

参与反应

31
HRID 30956 反应方程式

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07425409B2

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HRID 33094 反应方程式

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07429444B2

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HRID 33096 反应方程式

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07429447B2

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HRID 130291 反应方程式

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07381520B2

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HRID 272260 反应方程式

uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07455960B2

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HRID 346433 反应方程式

uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07172857B2

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HRID 347603 反应方程式

uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07175978B2

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HRID 720216 反应方程式

uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07135276B2

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