Grundinformationen
- Standard-SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
QZZGJDVWLFXDLK-UHFFFAOYSA-N- Summenformel
- C24H48O2
- Durchschnittliche Molmasse
- 368,6 g/mol
- Monoisotopische Masse
- 368,36543077
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
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
557-59-5- PubChem CID
- 11197
- DTXSID
DTXSID6021664- ChEMBL
CHEMBL1173620- ChEBI
CHEBI:28866- UNII
- RK3VCW5Y1L
- EC Number
- 209-180-7
- Nikkaji
- J11.350F
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
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]-
Physikochemische Eigenschaften
- Schmelzpunkt
- 80 · 80-82 °C
- Siedepunkt
- 272 °C10 · 272 °C10 mm Hg(lit.)
- Dichte
- 0.879 · 0.8790
- Brechungsindex
- 100 · nD100 1.4287
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly, Heated), Ethyl Acetate (Slightly)
- pka
- 4.78 · 4.78±0.10(Predicted)
- Aggregatzustand
- Shiny Crystalline Powder or Flakes
- Farbe
- White
- Biologische Quelle
- synthetic (organic)
- Merck
- 14 · 14,5488
- BRN
- 1728237 · 1728237
- Henry's Law Constant
- 5.4 · 5.4×10-2 mol/(m3Pa) at 25℃, Abraham (2003)
- InChI
- 1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)
- InChIKey
- QZZGJDVWLFXDLK-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCC(O)=O
- LogP
- 11.4 · 11.400 (est)
- CAS Datenbank
- 557 · 557-59-5(CAS DataBase Reference)
- EPA chemische Informationen
- Tetracosanoic acid (557-59-5)
Sicherheit und Regulatorisches
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];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.
Gefahrenhinweise
Regulatorische Informationen
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
Verwendung und Herstellung
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
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
Nachgelagerte Produkte
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Ergänzende Hinweise
DefinitionChEBI: A C24 straight-chain saturated fatty acid.
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