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CAS No.: | 1083-27-8 |
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Name: | HEXYL 4-HYDROXYBENZOATE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C13H18 O3 |
Molecular Weight: | 222.284 |
Synonyms: | Benzoicacid, p-hydroxy-, hexyl ester (6CI,7CI,8CI); Hexyl 4-hydroxybenzoate; Hexylp-hydroxybenzoate; Hexylparaben; UA 12690; n-Hexyl 4-hydroxybenzoate |
Density: | 1.067g/cm3 |
Melting Point: | 53oC |
Boiling Point: | 339°C at 760 mmHg |
Flash Point: | 138.5°C |
Solubility: | 137.6mg/L(25 oC) |
Risk Codes: | R36/37/38 |
PSA: | 46.53000 |
LogP: | 3.12930 |
Conditions | Yield |
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With iron(III) chloride; ammonium persulfate In tetrachloromethane; 1,2-dichloro-ethane at 120℃; for 15h; | 76% |
Conditions | Yield |
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With [4,4’-bis(1,1-dimethylethyl)-2,2’-bipyridine-N1,N1‘]bis [3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-N]phenyl-C]iridium(III) hexafluorophosphate; Selectfluor In acetonitrile at 20℃; for 7h; Inert atmosphere; Irradiation; | 73% |
Conditions | Yield |
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With dicyclohexyl-carbodiimide In tetrahydrofuran for 20h; | 66% |
With sulfuric acid In toluene for 4h; Heating; | 53.2% |
With hydrogenchloride at 150℃; |
Conditions | Yield |
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In methanol; dichloromethane at 20℃; for 4h; Inert atmosphere; | A 12% B 51% C n/a |
1-bromo-hexane
4-hydroxy-benzoic acid
A
para-hexyloxybenzoic acid
B
hexyl paraben
Conditions | Yield |
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With PEG 200; potassium hydroxide at 80℃; for 2h; Title compound not separated from byproducts; | A 83 % Spectr. B 7 % Spectr. |
With PEG 200; potassium hydroxide In 1,4-dioxane at 80℃; for 2h; Title compound not separated from byproducts; | A 73 % Spectr. B 11 % Spectr. |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: durch 6-taegiges Kochen 2: hydrogen chloride / 150 °C View Scheme | |
Multi-step reaction with 2 steps 2: hydrogen chloride / 150 °C View Scheme |
Conditions | Yield |
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With triethylamine In dichloromethane at 20℃; for 5h; | 88% |
With triethylamine In dichloromethane at 20℃; for 5h; |
hexyl paraben
Conditions | Yield |
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With sulphamoyl chloride; sodium hydride In N,N-dimethyl-formamide; toluene for 10h; Heating; | 35.4% |
Stage #1: hexyl paraben With sodium hydride In N,N-dimethyl-formamide at 0℃; Stage #2: With sulphamoyl chloride In N,N-dimethyl-formamide; toluene | |
Stage #1: hexyl paraben With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: With sulphamoyl chloride In N,N-dimethyl-formamide; toluene for 10h; |
hexyl paraben
Conditions | Yield |
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With trichlorophosphate |