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Name |
Octadecanoic acid, 9,10-epoxy-, cis- |
EINECS | N/A |
CAS No. | 24560-98-3 | Density | 0.956g/cm3 |
PSA | 49.83000 | LogP | 5.31970 |
Solubility | N/A | Melting Point |
58-60°C |
Formula | C18H34 O3 | Boiling Point | 422.9°Cat760mmHg |
Molecular Weight | 298.466 | Flash Point | 141.1°C |
Transport Information | N/A | Appearance | N/A |
Safety | Questionable carcinogen with experimental tumorigenic data reported. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Octadecanoicacid, 9,10-epoxy-, cis- (8CI); Oxiraneoctanoic acid, 3-octyl-, (2R,3S)-rel-(9CI); Oxiraneoctanoic acid, 3-octyl-, cis-; (?à)-cis-9,10-Epoxystearic acid; Epoxyoleic acid;cis-9,10-Epoxyoctadecanoic acid; cis-9,10-Epoxystearic acid;cis-DL-9,10-Epoxystearic acid |
Article Data | 69 |
(Z)-9,10-epoxyoctadecanoic acid methyl ester
cis-9,10-epoxystearic acid
Conditions | Yield |
---|---|
With lithium hydroxide monohydrate In tetrahydrofuran; water at 20℃; for 16h; Inert atmosphere; | 72% |
With lithium hydroxide In tetrahydrofuran at 0 - 20℃; | 52% |
With potassium hydroxide; ethanol | |
With methanol; potassium hydroxide |
Conditions | Yield |
---|---|
With acetic acid |
Conditions | Yield |
---|---|
With acetone | |
at 0 - 5℃; |
cis-Octadecenoic acid
cis-9,10-epoxystearic acid
Conditions | Yield |
---|---|
With Perbenzoic acid; diethyl ether | |
With Perbenzoic acid; chloroform | |
With water; hypochloric acid und anschl. mit wss. KOH; |
Conditions | Yield |
---|---|
With acetone Irradiation.mit UV-Licht und Durchleiten von Luft; | |
With oxygen Irradiation.mit UV-Licht; |
cis-Octadecenoic acid
A
Dihydroxystearic Acid
B
9-Chlor-10-hydroxy-octadecansaeure
cis-9,10-epoxystearic acid
Conditions | Yield |
---|---|
With hydrogenchloride; hypochloric acid Mechanism; fatty acids and lipids; |
cis-Octadecenoic acid
cis-9,10-epoxystearic acid
Conditions | Yield |
---|---|
With benzene |
threo-9,10-dihydroxyoctadecanoic acid
cis-9,10-epoxystearic acid
Conditions | Yield |
---|---|
With hydrogenchloride at 160℃; anschl. Erhitzen mit wss. Alkalilauge; |
cis-Octadecenoic acid
threo-9,10-dihydroxyoctadecanoic acid
cis-9,10-epoxystearic acid
Conditions | Yield |
---|---|
at 90℃; bei 3-taegigem Erwaermen; |
cis-Octadecenoic acid
cis-9,10-epoxystearic acid
Conditions | Yield |
---|---|
at 65℃; |
Molecule structure of Octadecanoic acid, 9,10-epoxy-, cis- (CAS NO.24560-98-3):
IUPAC Name: 8-[(2S,3R)-3-Octyloxiran-2-yl]octanoic acid
Molecular Weight: 298.46076 g/mol
Molecular Formula: C18H34O3
Density: 0.956 g/cm3
Boiling Point: 422.9 °C at 760 mmHg
Flash Point: 141.1 °C
Index of Refraction: 1.467
Molar Refractivity: 86.64 cm3
Molar Volume: 312.1 cm3
Polarizability: 34.34×10-24 cm3
Surface Tension: 37.4 dyne/cm
Enthalpy of Vaporization: 74.27 kJ/mol
Vapour Pressure: 2.46E-08 mmHg at 25 °C
Storage Temp.: −20 °C
XLogP3-AA: 6.1
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 15
Exact Mass: 298.250795
MonoIsotopic Mass: 298.250795
Topological Polar Surface Area: 49.8
Heavy Atom Count: 21
Complexity: 265
Defined Atom StereoCenter Count: 2
Canonical SMILES: CCCCCCCCC1C(O1)CCCCCCCC(=O)O
Isomeric SMILES: CCCCCCCC[C@@H]1[C@@H](O1)CCCCCCCC(=O)O
InChI: InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m1/s1
InChIKey of Octadecanoic acid, 9,10-epoxy-, cis- (CAS NO.24560-98-3): IMYZYCNQZDBZBQ-SJORKVTESA-N
Questionable carcinogen with experimental tumorigenic data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
RTECS: RG1400000
Octadecanoic acid, 9,10-epoxy-, cis- (CAS NO.24560-98-3) is also called (+-)-cis-9,10-Epoxystearic acid ; 5-18-06-00055 (Beilstein Handbook Reference) ; BRN 0085932 ; Epoxyoleic acid ; Oxiraneoctanoic acid, 3-octyl-, cis- ; cis-3-Octyloxirane octanoic acid ; cis-9,10-Epoxystearic acid ; cis-DL-9,10-Epoxystearic acid ; Oxiraneoctanoic acid, 3-octyl-, (2R,3S)-rel- .