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Basic Information
| CAS No.: | 628-97-7 |
|---|---|
| Name: | Ethyl hexadecanoate |
| Article Data: | 67 |
| Molecular Structure: | |
|
|
|
| Formula: | C18H36O2 |
| Molecular Weight: | 284.483 |
| Synonyms: | Palmiticacid, ethyl ester (6CI,8CI);Ethyl hexadecanoate;Ethyl palmitate;NSC 8918; |
| EINECS: | 211-064-6 |
| Density: | 0.864 g/cm3 |
| Melting Point: | 24-26 °C(lit.) |
| Boiling Point: | 342.2 °C at 760 mmHg |
| Flash Point: | 149 °C |
| Solubility: | Immiscible with water |
| Appearance: | clear colorless oily liquid after melting |
| Hazard Symbols: |
 Xi
|
| Safety: | 23-24/25 |
| PSA: | 26.30000 |
| LogP: | 6.03080 |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With monoammonium 12-tungstophosphate for 12h; Heating; | 98% |
| With alumina methanesulfonic acid at 120℃; for 0.333333h; Microwave irradiation; | 97% |
| With polysiloxane acidic ionic liquids containing pyridinium trifluoroacetate salts for 4h; Reflux; | 96% |
Conditions
| Conditions | Yield |
|---|---|
| With lithium perchlorate 1) electrolyzis; 2) reflux, 7h; | A 96% B n/a |
...Expand
Conditions
| Conditions | Yield |
|---|---|
| With 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate at 100℃; for 3.5h; | 95% |
| In various solvent(s) at 100℃; for 3.5h; | 95% |
Conditions
| Conditions | Yield |
|---|---|
| With CuCl2*2H2O for 3h; Ambient temperature; | 90% |
Conditions
| Conditions | Yield |
|---|---|
| With CuCl2*2H2O for 3h; Ambient temperature; | 90% |
Conditions
| Conditions | Yield |
|---|---|
| With palmitic acid imprinted Thermomyces lanuginosus Lypozyme TL 100L lipase nanogel In n-heptane at 40℃; for 1h; Reagent/catalyst; Green chemistry; Enzymatic reaction; | 77% |
| With constitutive mycelium-bound lipase from Aspergillus niger MYA 135 In hexane; acetone at 37℃; for 1h; Reagent/catalyst; Enzymatic reaction; | |
| With lipase encapsulated polyacrylamide nanogel In n-heptane Reagent/catalyst; Enzymatic reaction; |
Conditions
| Conditions | Yield |
|---|---|
| With hydrogenchloride; titanium tetrachloride for 12h; Heating; | 74% |
Conditions
| Conditions | Yield |
|---|---|
| With PDVB-VI-0.5 at 78℃; for 3h; | 64.3% |
Conditions
| Conditions | Yield |
|---|---|
| With xylene at 100℃; |
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Ethyl hexadecanoate
Chemistry
The Molecular formula of Ethyl palmitate(628-97-7):C18H36O2
The Molecular Weight of Ethyl palmitate(628-97-7):284.4772
The Molecular Structure of Ethyl palmitate(628-97-7) is:
Density:0.864 g/cm3
Melting point:24-26 °C(lit.)
Boiling point:342.2 °C at 760 mmHg
Flash point:149 °C
Solubility in water:IMMISCIBLE
Index of Refraction :1.442
Molar Refractivity: 87.21 cm3
Molar Volume:329.1 cm3
Polarizability:34.57 10-24cm3
Surface Tension:30.4 dyne/cm
Enthalpy of Vaporization:58.6 kJ/mol
Vapour Pressure:7.63E-05 mmHg at 25°C
Appearance:colorless needle-like crystals
IUPAC Name:ethyl hexadecanoate
Synonyms:PALMITIC ACID ETHYL ESTER;HEXADECANOIC ACID ETHYL ESTER;Ethyl palmitate;Ethyl cetylate;ETHYL HEXADECANOATE;ETHYL PALMITATE;ETHYL N-HEXADECANOATE;FEMA 2451;Ethyl hexadecanoate
The Molecular Weight of Ethyl palmitate(628-97-7):284.4772
The Molecular Structure of Ethyl palmitate(628-97-7) is:
Density:0.864 g/cm3
Melting point:24-26 °C(lit.)
Boiling point:342.2 °C at 760 mmHg
Flash point:149 °C
Solubility in water:IMMISCIBLE
Index of Refraction :1.442
Molar Refractivity: 87.21 cm3
Molar Volume:329.1 cm3
Polarizability:34.57 10-24cm3
Surface Tension:30.4 dyne/cm
Enthalpy of Vaporization:58.6 kJ/mol
Vapour Pressure:7.63E-05 mmHg at 25°C
Appearance:colorless needle-like crystals
IUPAC Name:ethyl hexadecanoate
Synonyms:PALMITIC ACID ETHYL ESTER;HEXADECANOIC ACID ETHYL ESTER;Ethyl palmitate;Ethyl cetylate;ETHYL HEXADECANOATE;ETHYL PALMITATE;ETHYL N-HEXADECANOATE;FEMA 2451;Ethyl hexadecanoate
Uses
Ethyl palmitate(628-97-7) is used in organic synthesis, spices and flavorings.GB 2760-96 provisions allowing the use of food spices.Used for the preparation of butter, beef fat, milk, pork and fish, spice flavor. Can also be used for the preparation of rum flavor.
Toxicity Data With Reference
RTECS#: CAS# 628-97-7: None listed
LD50/LC50: RTECS: Not available.
Carcinogenicity: Ethyl palmitate - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Other: The toxicological properties have not been fully investigated.
LD50/LC50: RTECS: Not available.
Carcinogenicity: Ethyl palmitate - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Other: The toxicological properties have not been fully investigated.
Safety Profile
Hazard Codes:Xi
Xi:Irritant
Safety Statements ：
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
WGK Germany：3
Hazard Note：Irritant
HS Code：29157020
Specification
Chemical Stability: Stable under normal temperatures and pressures.
Conditions to Avoid: Incompatible materials.
Incompatibilities with Other Materials Strong oxidizing agents.
Hazardous Decomposition Products Carbon monoxide, carbon dioxide.
Hazardous Polymerization Will not occur.
Conditions to Avoid: Incompatible materials.
Incompatibilities with Other Materials Strong oxidizing agents.
Hazardous Decomposition Products Carbon monoxide, carbon dioxide.
Hazardous Polymerization Will not occur.