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| CAS No.: | 111-82-0 |
|---|---|
| Name: | METHYL LAURATE |
| Molecular Structure: | |
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| Formula: | C13H26O2 |
| Molecular Weight: | 214.348 |
| Synonyms: | Agnique ME 1270U;Agnique ME 1290;CE 1290;Lauricacid, methyl ester (6CI,8CI);CE1295;Edenor ME-C 1298-100;Emery 2296;Metholene 2296;Methyl dodecanoate;Methyl dodecylate;Methyl laurinate;Methyl n-dodecanoate;NSC5027;Pastel M 12;Pastell M 12;Stepan C 40;Texaprint SDM 100;Uniphat A 40;Methyl laurate; |
| EINECS: | 203-911-3 |
| Density: | 0.869 g/cm3 |
| Melting Point: | 4-5 °C(lit.) |
| Boiling Point: | 263 °C at 760 mmHg |
| Flash Point: | 114.6 °C |
| Solubility: | Not miscible in water. Soluble in alcohol, dipropylene glycol. |
| Appearance: | clear colorless to slightly yellow liquid |
| Hazard Symbols: | N |
| Risk Codes: | 50 |
| Safety: | 24/25 |
| PSA: | 26.30000 |
| LogP: | 4.08030 |
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Specification
Methyl laurate, with the CAS Number 111-82-0, is also named as Dodecylmethanoate; femanumber2715; Metholene 2296; metholene2296; Methyl dodecylate; Methyl laurinate; Methyl n-dodecanoate; methyldodecylate. It is soluble in most organic solvents; insoluble in water. Generally, Methyl laurate is colourless to pale yellow liquid with a fatty, floral, winey odour. Methyl laurate can be used for gas chromatography fixed liquid, food additives and organic synthetic reagent.
Physical properties about Methyl laurate are: (1)ACD/LogP: 5.371; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.37; (4)ACD/LogD (pH 7.4): 5.37; (5)ACD/BCF (pH 5.5): 7106.84 ; (6)ACD/BCF (pH 7.4): 7106.84; (7)ACD/KOC (pH 5.5): 19889.38; (8)ACD/KOC (pH 7.4): 19889.38; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 11; (11)Index of Refraction: 1.433; (12)Molar Refractivity: 64.051 cm3; (13)Molar Volume: 246.605 cm3; (14)Polarizability: 25.392 10-24cm3; (15)Surface Tension: 29.3700008392334 dyne/cm; (16)Density: 0.869 g/cm3; (17)Flash Point: 114.57 °C; (18)Enthalpy of Vaporization: 50.082 kJ/mol; (19)Boiling Point: 263.009 °C at 760 mmHg; (20)Vapour Pressure: 0.0109999999403954 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3;
(2)InChIKey=UQDUPQYQJKYHQI-UHFFFAOYSA-N;
(3)SmilesC(CCC(=O)OC)CCCCCCCC;
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intravenous | 48mg/kg (48mg/kg) | Journal of the Reticuloendothelial Society. Vol. 3, Pg. 250, 1966. |