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Octadecanoic acid, 9,10-epoxy-, cis-

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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 Molecular Structure of 24560-98-3 (CIS-9,10-EPOXYSTEARIC ACID) 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

Octadecanoic acid, 9,10-epoxy-, cis- Synthetic route

24560-98-3

cis-9,10-epoxystearic acid

Conditions
ConditionsYield
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
79-21-0

peracetic acid

112-80-1

cis-Octadecenoic acid

24560-98-3

cis-9,10-epoxystearic acid

Conditions
ConditionsYield
With acetic acid
93-59-4

Perbenzoic acid

112-80-1

cis-Octadecenoic acid

24560-98-3

cis-9,10-epoxystearic acid

Conditions
ConditionsYield
With acetone
at 0 - 5℃;
112-80-1

cis-Octadecenoic acid

24560-98-3

cis-9,10-epoxystearic acid

Conditions
ConditionsYield
With Perbenzoic acid; diethyl ether
With Perbenzoic acid; chloroform
With water; hypochloric acid und anschl. mit wss. KOH;
112-80-1

cis-Octadecenoic acid

100-52-7

benzaldehyde

24560-98-3

cis-9,10-epoxystearic acid

Conditions
ConditionsYield
With acetone Irradiation.mit UV-Licht und Durchleiten von Luft;
With oxygen Irradiation.mit UV-Licht;
112-80-1

cis-Octadecenoic acid

A

120-87-6

Dihydroxystearic Acid

B

2632-61-3

9-Chlor-10-hydroxy-octadecansaeure

24560-98-3

cis-9,10-epoxystearic acid

Conditions
ConditionsYield
With hydrogenchloride; hypochloric acid Mechanism; fatty acids and lipids;
112-80-1

cis-Octadecenoic acid

peroxynonanoic acid

peroxynonanoic acid

24560-98-3

cis-9,10-epoxystearic acid

Conditions
ConditionsYield
With benzene
24560-98-3

cis-9,10-epoxystearic acid

B

threo-9,10-dihydroxy-octadecanoic acid

threo-9,10-dihydroxy-octadecanoic acid

Conditions
ConditionsYield
With hydrogenchloride at 160℃; anschl. Erhitzen mit wss. Alkalilauge;
112-80-1

cis-Octadecenoic acid

hydroperoxyoctadecenoic acid methyl ester

hydroperoxyoctadecenoic acid methyl ester

24560-98-3

cis-9,10-epoxystearic acid

Conditions
ConditionsYield
at 90℃; bei 3-taegigem Erwaermen;
112-80-1

cis-Octadecenoic acid

cobalt oleate

cobalt oleate

24560-98-3

cis-9,10-epoxystearic acid

B

lower-melting (trans-)9.10-epoxy-stearic acid

lower-melting (trans-)9.10-epoxy-stearic acid

Conditions
ConditionsYield
at 65℃;

Octadecanoic acid, 9,10-epoxy-, cis- Chemical Properties

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

Octadecanoic acid, 9,10-epoxy-, cis- Safety Profile

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- Specification

 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- .

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