リグノセリン酸

Tetracosanoic Acid

HCID 11197CAS 557-59-5
部分構造検索類似構造を探す

基本情報

標準SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIKey
QZZGJDVWLFXDLK-UHFFFAOYSA-N
分子式
C24H48O2
平均分子量
368.6 g/mol
単同位体質量
368.36543077

名称と識別子

優先名称
Tetracosanoic Acid
IUPAC
tetracosanoic acid
現地名
リグノセリン酸
英語名
Lignoceric acid
分子式
C24H48O2
分子量
368.64

名称と別名

Tetracosanoic acidLignoceric acid557-59-5N-TETRACOSANOIC ACIDRK3VCW5Y1LDTXSID6021664CHEBI:28866fatty acid 24:0RefChem:153409DTXCID701664209-180-7MFCD00002810
名称をさらに表示
リグノセリン酸リゲノセリン酸テトラコサン酸テトラコサン酸標準品L88Tetracosanoic Acid(C24:0)FL88C24:0 ACIDLignoceric aciL88(fattyacid)TetracosansureFL88(fattyacid)
FA 24:0N-Lignocericacidtetracosanoic acid (lignoceric acid)UNII-RK3VCW5Y1LLignozerinsaeureTetracosansaeureCarnaubic acidlingnoceric acid

データベース識別子

CAS
557-59-5
PubChem CID
11197
DTXSID
DTXSID6021664
ChEMBL
CHEMBL1173620
ChEBI
CHEBI:28866
UNII
RK3VCW5Y1L
EC Number
209-180-7
Nikkaji
J11.350F

物性

構造計算による物性

XLogP
10.7
極性表面積
37.3 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
22
重原子数
26

実験および物理化学的性質

Melting Point84.2 °C
Physical Description · 2 件

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

Solid

Ionization Efficiency · 6 件

Positive

0.71

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Kovats Retention Index · 2 件

2685

2760

Collision Cross Section · 5 件

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]-

物理化学的性質

融点
80 · 80-82 °C
沸点
272 °C10 · 272 °C10 mm Hg(lit.)
比重(密度)
0.879 · 0.8790
屈折率
100 · nD100 1.4287
貯蔵温度
2 · 2-8°C
溶解性
クロロホルム（微量、加熱）、酢酸エチル（微量）

化学的性質

化学的特性white shiny crystalline powder or flakes

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory InformationTetracosanoic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
EPA Safer ChemicalChemical: Lignoceric acid； Green circle - The chemical has been verified to be of low concern based on experimental and modeled data.
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；STOT SE 3 (95%)

法規制情報

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

安全データ

wgk
-
tsca
TSCA listed
hs_code
29159000
risk_code
36/37/38
化審法
(2)-608
hazard_code
Xi

化学と産業

薬理情報

Tissue LocationsFibroblasts
Cellular LocationsCytoplasm；Extracellular；Membrane；Peroxisome
Metabolite PathwaysAdrenoleukodystrophy, X-linked；Biosynthesis of unsaturated fatty acids；Carnitine-acylcarnitine translocase deficiency

用途と製造

UsesFound 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 · 2 件

EPA Safer Chemical Functional Use Classes -> Surfactants

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

General Manufacturing InformationTetracosanoic acid: ACTIVE
応用分野 · 2 件

説明Lignoceric acid is a 24-carbon saturated (24:0) fatty acid. In mammals, it is synthesized during brain development and is found in cerebrosides. The deficient peroxisomal oxidation of very-long-chain fatty acids, including lignoceric acid, contributes to certain syndromes, including Zellweger cerebro-hepato-renal syndrome and X chromosome-linked adrenoleukodystrophy. Lignoceric acid is also a by-product of lignin production.

使用Tetracosanoic Acid is a chemical component of a dried mushroom powder exhibiting antioxidant properties. It is a long chain fatty acid present in peanut oil.

調製方法

純化方法Crystallise the acid from acetic acid, Me2CO, toluene, pet ether/Me2CO or*C6H6/Me2CO. [Beilstein 2 IV 1301.]

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

補足説明

定義ChEBI: A C24 straight-chain saturated fatty acid.

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