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Basic Information
| CAS No.: | 689-89-4 | |
|---|---|---|
| Name: | Methyl sorbate | |
| Molecular Structure: | ||
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| Formula: | C7H10 O2 | |
| Molecular Weight: | 126.155 | |
| Synonyms: | 2,4-Hexadienoicacid, methyl ester, (E,E)-; Sorbic acid, methyl ester (6CI,7CI); Sorbic acid,methyl ester, (E,E)- (8CI); (2E,4E)-Hexa-2,4-dienoic acid methyl ester;(E,E)-2,4-Hexadienoic acid methyl ester; 2-trans-4-trans-Methyl sorbate; Methyl(2E,4E)-hexadienoate; Methyl (E,E)-2,4-hexadienoate; Methyl (E,E)-sorbate;Methyl sorbate; Methyl trans,trans-sorbate | |
| EINECS: | 211-712-8 | |
| Density: | 0.968 | |
| Melting Point: | 15oC | |
| Boiling Point: | 180 C | |
| Flash Point: | 158 ºF | |
| Solubility: | Insoluble | |
| Appearance: | yellowish liquid | |
| Hazard Symbols: |
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| Risk Codes: | R36/38 | |
| Transport Information: | 190kgs | |
| PSA: | 26.30000 | |
| LogP: | 1.29170 | |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With thionyl chloride at -10℃; for 2h; Reflux; Inert atmosphere; | 99% |
| With chloro-trimethyl-silane In dichloromethane for 16h; | 99% |
| Stage #1: sorbic Acid With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 0℃; for 1h; Inert atmosphere; Stage #2: methanol In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; | 95% |
Conditions
| Conditions | Yield |
|---|---|
| With iron(III) trifluoromethanesulfonate at 90℃; Schlenk technique; | 86% |
- 18937-79-6
methyl 2-hexynoate
- 689-89-4
(2E,4E)-methylhexa-2,4-dienoate
Conditions
| Conditions | Yield |
|---|---|
| With tributylphosphine; IrH5(P-(i-Pr)3)2 In toluene at 110℃; for 24h; | 85% |
Conditions
| Conditions | Yield |
|---|---|
| 85% | |
| at 0℃; | 81% |
- 5837-72-9
methyl (E)-4-oxo-2-butenoate
- 2136-75-6
(triphenylphosphoranylidene)acetaldehyde
- 689-89-4
(2E,4E)-methylhexa-2,4-dienoate
Conditions
| Conditions | Yield |
|---|---|
| In dichloromethane for 4h; Heating; | 82% |
- 689-89-4
(2E,4E)-methylhexa-2,4-dienoate
Conditions
| Conditions | Yield |
|---|---|
| With copper(l) iodide; boron trifluoride diethyl etherate; methylmagnesium bromide In tetrahydrofuran at -78℃; for 0.333333h; | 82% |
- 287193-97-9
(1Z,3E)-1-(t-butyldimethylsilyloxy)-1-methoxyhexa-1,3-diene
- 689-89-4
(2E,4E)-methylhexa-2,4-dienoate
Conditions
| Conditions | Yield |
|---|---|
| With chloranil In dichloromethane for 0.00277778h; Elimination; | 72% |
- 292638-85-8
acrylic acid methyl ester
- 83947-58-4
4,4,5,5-tetramethyl-2-[(1E)-prop-1-en-1-yl]-1,3,2-dioxaborolane
- 689-89-4
(2E,4E)-methylhexa-2,4-dienoate
Conditions
| Conditions | Yield |
|---|---|
| With silver hexafluoroantimonate; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; copper(II) acetate monohydrate In 1,2-dichloro-ethane at 80℃; for 12h; Inert atmosphere; Sealed tube; stereoselective reaction; | 70% |
- 51830-12-7
Epoxy-4,5 hexene-2 (E) oate de methyle
A
- 689-89-4
(2E,4E)-methylhexa-2,4-dienoate
B
- 113351-26-1
(+/-)-methyl-E-5-hydroxyhex-3-enoate
Conditions
| Conditions | Yield |
|---|---|
| With maleic anhydride; carbon monoxide; N-ethyl-N,N-diisopropylamine; sodium bromide; Pd2(C4H7)2Cl2 In methanol under 22800 Torr; Ambient temperature; | A 7% B 67% |
Conditions
| Conditions | Yield |
|---|---|
| With copper(II) chloride monohydrate; dihydrogen peroxide; oxygen; potassium carbonate; calcium chloride at 80℃; for 15h; Sealed tube; Green chemistry; | 32% |
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Methyl sorbate
