Tetracosansure
Tetracosanoic Acid
Grundinformationen
- CAS
557-59-5- Standard-SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
QZZGJDVWLFXDLK-UHFFFAOYSA-N- Summenformel
- C24H48O2
- Durchschnittliche Molmasse
- 368,6 g/mol
- Monoisotopische Masse
- 368,36543077
Überblick
Tetracosanoic acid is a C24 straight-chain saturated fatty acid. It has a role as a volatile oil component, a plant metabolite, a human metabolite and a Daphnia tenebrosa metabolite. It is a very long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a tetracosanoate.
Namen und Bezeichner
- Bevorzugter Name
- Tetracosanoic Acid
- IUPAC
- tetracosanoic acid
- Lokaler Name
- Tetracosansure
- Englischer Name
- Lignoceric acid
- Summenformel
- C24H48O2
- Molmasse
- 368.64
Namen und Synonyme
Lignoceric acidTetracosanoic acid557-59-5N-TETRACOSANOIC ACIDRK3VCW5Y1Lfatty acid 24:0CHEBI:28866DTXSID6021664RefChem:153409DTXCID701664209-180-7Tetracosansaeure
Weitere Namen anzeigen
L88Tetracosanoic Acid(C24:0)FL88C24:0 ACIDLignoceric aciL88(fattyacid)carnaubic acidTetracosansureFL88(fattyacid)
tetracosanic acidtetraicosanoic acidMFCD00002810LignozerinsaeureFA 24:0N-LignocericacidUNII-RK3VCW5Y1Ltetracosanoic acid (lignoceric acid)
Datenbank-Bezeichner
- CAS
557-59-5- PubChem CID
- 11197
- DTXSID
DTXSID6021664- ChEMBL
CHEMBL1173620- ChEBI
CHEBI:28866
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 10,7
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 22
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 275
Experimentelle und physikochemische Eigenschaften
Chemical ClassesBiological Agents -> Fatty Acids and Fats
Lipids
Lipids -> Unambiguous Lipids
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]
Melting Point84.2 °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)
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]
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)]
200.9 Ų [M-H]-
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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]
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.
Gefahrenhinweise
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
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Sicherheitsdaten
- wgk
- -
- tsca
- TSCA listed
- hs_code
- 29159000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsFibroblasts
Cellular LocationsCytoplasm
Metabolite PathwaysAdrenoleukodystrophy, X-linked
Verwendung und Herstellung
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
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
Anwendungen
BeschreibungLignoceric 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.
VerwendenTetracosanoic Acid is a chemical component of a dried mushroom powder exhibiting antioxidant properties. It is a long chain fatty acid present in peanut oil.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
31
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