Elaidic Acid

HCID 637517CAS 112-79-8
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Grundinformationen

Standard-SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)O
InChIKey
ZQPPMHVWECSIRJ-MDZDMXLPSA-N
Summenformel
C18H34O2
Durchschnittliche Molmasse
282,5 g/mol
Monoisotopische Masse
282,25588032

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、2027-47-6
PubChem CID
637517
DTXSID
DTXSID8058619
ChEMBL
CHEMBL460657
ChEBI
CHEBI:27997
UNII
4837010H8C
EC Number
204-006-6
Nikkaji
J10.103F、J199.825K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
6,5
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
15
Schwere Atome
20

Experimentelle und physikochemische Eigenschaften

LogP6.78
Melting Point42 - 44 °C
Physical Description · 2 Einträge

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

Liquid

Kovats Retention Index2141；2152.4；2143.9；2123；2145.9
Collision Cross Section175.9 Ų [M-H]-

Physikochemische Eigenschaften

Schmelzpunkt
42 · 42-44 °C (lit.)
Siedepunkt
288 °C/100 · 288 °C/100 mmHg (lit.)
Dichte
0.8734 g/cm3 · 0.8734 g/cm3 (20 ºC)
Brechungsindex
1.4597 · 1.4597 (589.3 nm 20℃)
Flammpunkt
230 °F · >230 °F
storage temp.
-20 °C · -20°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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]；H319 (87.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): 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 8 reports by companies from 4 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 8 reports by companies.；There are 3 notifications provided by 7 of 8 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

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%)；Eye Irrit. 2 (87.5%)；STOT SE 3 (75%)

Regulatorische Informationen

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

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,

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsAdipose Tissue；Fibroblasts
Cellular LocationsCytoplasm；Extracellular；Membrane

Verwendung und Herstellung

UsesUsed as a laboratory chemical and to make other substances; [Sigma-Aldrich MSDS]
Anwendungen · 2 Einträge

BeschreibungElaidic acid is the major trans fat found in hydrogenated vegetable oils and occurs in small amounts in caprine and bovine milk (very roughly 0.1% of the fatty acids) and some meats. It is the trans isomer of oleic acid. The name of the elaidinization reaction comes from elaidic acid. Elaidic acid increases CETP activity, which in turn raises VLDL and lowers HDL cholesterol.

VerwendenElaidic acid is the 9-trans isomer of oleic acid. It is a monounsaturated trans-fatty acid which can be found in partially hydrogenated cooking oils. In human platelets incubated with arachidonic acid, elaidic acid inhibits HHT and HETE formation while inducing prostaglandin and thromboxane synthesis.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海毕合生物化学技术有限公司13816464724 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A 9-octadecenoic acid and the trans-isomer of oleic acid.

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