Elaidic Acid
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Grundinformationen
- CAS
112-79-8- Standard-SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)O- InChIKey
ZQPPMHVWECSIRJ-MDZDMXLPSA-N- Summenformel
- C18H34O2
- Durchschnittliche Molmasse
- 282,5 g/mol
- Monoisotopische Masse
- 282,25588032
Überblick
Elaidic acid is a 9-octadecenoic acid and the trans-isomer of oleic acid. It has a role as a food component. It is a conjugate acid of an Octadec-9-enoic acid anion and an elaidate. It derives from a hydride of a trans-octadec-9-ene.
Namen und Bezeichner
- Bevorzugter Name
- Elaidic Acid
- IUPAC
- (E)-octadec-9-enoic acid
- Englischer Name
- ELAIDIC ACID
- Summenformel
- C18H34O2
- Molmasse
- 282.46
Namen und Synonyme
Elaidic acid112-79-8(E)-octadec-9-enoic acidtrans-Oleic acidtrans-9-Octadecenoic acid9-Octadecenoic acid, (E)-(E)-Oleic acid9-octadecenoic acid, (9E)-trans-Octadec-9-enoic acid(E)-9-Octadecenoic acidtrans-Elaidic acidElaidinsaure
Weitere Namen anzeigen
ELAIDIC ACID, REAG.9-octadecenoicacid,(E)-(9Z)-Octadec-9-enoic acidC01712NSC 26988
acide elaidique(9E)-Octadecenoic acid9-trans-Octadecenoic acidElaidinic acidD9-trans-Octadecenoic acidtrans-D9-Octadecenoic acidCHEBI:279974837010H8C
Datenbank-Bezeichner
- CAS
112-79-8、112-80-1、2027-47-6- PubChem CID
- 637517
- DTXSID
DTXSID8058619- ChEMBL
CHEMBL460657- ChEBI
CHEBI:27997- UNII
- 4837010H8C
- EC Number
- 204-006-6
- Nikkaji
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 6,5
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 15
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 234
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Organic Acids
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
LogP6.78
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point42 - 44 °C
Physical Description
White solid; [Merck Index] White crystals; [Sigma-Aldrich MSDS]
Liquid
Collision Cross Section175.9 Ų [M-H]-
Physikochemische Eigenschaften
- Schmelzpunkt
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 12.5% (1 of 8) of reports.
Warning
H315 (87.5%): 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 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationElaidic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntravenous LD50 (mouse) = 100 mg/kg; [RTECS] Stereoisomer of oleic acid; [Merck Index] May cause irritation; [Sigma-Aldrich MSDS] See Oleic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (87.5%)
Sicherheitsdaten
- F
- 9
- wgk
- 1
- hs_code
- 2916.19.3000
- RTECS-Nr.
- JX6125000
- risk_code
- 36/37/38
- Toxizität
- mouse,LD50,intravenous,100mg/kg (100mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00371,
- safety_code
- 26-36/37/39
- Speicherklasse
Chemie und Industrie
Pharmakologische Informationen
Protein BindingAs with other fatty acids originating from adipose tissue stores, oleic acid may bind to serum albumin or remain unesterified in the blood.
Biological Half-LifeNo pharmacokinetic data available.
Metabolism/Metabolites
Like most fatty acids, oleic acid may undergo oxidation via beta-oxidation and tricarboxylic acid cycle pathways of catabolism, where an additional isomerization reaction is required for the complete catabolism of oleic acid. Via a series of elongation and desaturation steps, oleic acid may be converted into longer chain eicosatrienoic and nervonic acid.
Absorption, Distribution and Excretion
Fatty acid uptake by different tissues may be mediated via passive diffusion to facilitated diffusion or a combination of both. Fatty acids taken up by tissues are then stored in the form of triglycerides or oxidized. Oleic acid was shown to penetrate rat skin. Following oral administration of Brucea javanica oil emulsion in rats, the time of oleic acid to reach peak plasma concentration was approximately 15.6 hours.
Following oral administration of trace amounts of oleic acid, less than 10% of total oleic acid was found to be eliminated via fecal excretion.
Radio-labelled oleic acid was detected in the heart, liver, lung, spleen, kidney, muscle, intestine, adrenal, blood, and lymph, and adipose, mucosal, and dental tissues. Oleic acid is primarily transported via the lymphatic system.
No pharmacokinetic data available.
Tissue LocationsAdipose Tissue
Cellular LocationsCytoplasm
Verwendung und Herstellung
UsesUsed as a laboratory chemical and to make other substances; [Sigma-Aldrich MSDS]
Zugehörige Reaktionen
3
Notizen zur Verbindung
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