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Basic Information
CAS No.: 111-10-4
Name: Methoxyethyl oleate
Article Data: 4
Molecular Structure:
Molecular Structure of 111-10-4 (Methoxyethyl oleate)
Formula: C21H40 O3
Molecular Weight: 340.547
Synonyms: 9-Octadecenoicacid (Z)-, 2-methoxyethyl ester; Oleic acid, 2-methoxyethyl ester(6CI,7CI,8CI); Ethanol, 2-methoxy-, oleate (8CI); 2-Methoxyethyl oleate;Ethylene glycol monomethyl ether oleate; Kapsolat; Methoxyethyl oleate; NSC403908
Density: 0.899g/cm3
Melting Point: -19.9°C
Boiling Point: 421.9°Cat760mmHg
Flash Point: 152.5°C
Safety: Very mildly toxic by ingestion. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
PSA: 35.53000
LogP: 6.21350
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Chemistry

Molecule structure of Methoxyethyl oleate (CAS NO.111-10-4) :

IUPAC Name: 2-methoxyethyl (Z)-octadec-9-enoate 
Molecular Weight: 340.5405 g/mol
Molecular Formula: C21H40O3 
Density: 0.899 g/cm3 
Boiling Point: 421.9 °C at 760 mmHg
Flash Point: 152.5 °C
Index of Refraction: 1.455
Molar Refractivity: 102.91 cm3
Molar Volume: 378.6 cm3
Polarizability: 40.79×10-24 cm3
Surface Tension: 31.8 dyne/cm
 Enthalpy of Vaporization: 67.59 kJ/mol
Vapour Pressure: 2.52E-07 mmHg at 25 °C
XLogP3-AA: 7.4
H-Bond Acceptor: 3
Rotatable Bond Count: 19
Exact Mass: 340.297745
MonoIsotopic Mass: 340.297745
Topological Polar Surface Area: 35.5
Heavy Atom Count: 24
Complexity: 287
Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCOC
Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCCOC
InChI: InChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(22)24-20-19-23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-
InChIKey: UFARNTYYPHYLGN-KHPPLWFESA-N
EINECS  of Methoxyethyl oleate (CAS NO.111-10-4) : 203-834-5

Toxicity Data With Reference

1.    

orl-rat LD50:11,210 mg/kg

     JIDHAN    Journal of Industrial Hygiene. 23 (1941),259.

Consensus Reports

Glycol ether compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.

Safety Profile

Very mildly toxic by ingestion. Combustible when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

Specification

 Methoxyethyl oleate (CAS NO.111-10-4) is also called 2-Methoxyethyl oleate ; 4-02-00-01656 (Beilstein Handbook Reference) ; BRN 1713435 ; Ethanol, 2-methoxy-, oleate ; Ethylene glycol monomethyl ether oleate ; Kapsolat ;
Methyl cellosolve oleate ; Methyl cellosolveat oleate ; NSC 403908 ; 9-Octadecenoic acid (9Z)-, 2-methoxyethyl ester ; 9-Octadecenoic acid (Z)-, 2-methoxyethyl ester (9CI) ; Oleic acid, 2-methoxyethyl ester .