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CAS No.: | 106-30-9 |
---|---|
Name: | Ethyl heptanoate |
Article Data: | 60 |
Molecular Structure: | |
Formula: | C9H18O2 |
Molecular Weight: | 158.241 |
Synonyms: | Enanthic acid, ethyl ester (4CI);Cognac oil;Enanthylic ether;Ethyl enanthate;Ethyl heptoate;Ethyl heptylate;Ethyl n-heptanoate;Ethyl oenanthate;Ethyl oenanthylate;NSC 8891;Oenanthic ether;Heptanoic acid, ethyl ester; |
EINECS: | 203-382-9 |
Density: | 0.868 g/cm3 |
Melting Point: | -66 °C(lit.) |
Boiling Point: | 188.3 °C at 760 mmHg |
Flash Point: | 66.1 °C |
Solubility: | 126mg/L at 20℃ |
Appearance: | clear colorless liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26 |
PSA: | 26.30000 |
LogP: | 2.51990 |
ethyl heptanoate
Conditions | Yield |
---|---|
With tetrabutylammonium tetrafluoroborate In acetonitrile Electrolysis; | 99% |
ethyl 6-heptenoate
ethyl heptanoate
Conditions | Yield |
---|---|
With 4,4'-di-tert-butylbiphenyl; lithium; isopropyl alcohol; nickel dichloride In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; chemoselective reaction; | 99% |
With hydrogen at 80℃; under 7500.75 Torr; for 1h; Autoclave; | 93% |
With ethanol; lithium; nickel dichloride; 4,4'-di-tert-butylbiphenyl In tetrahydrofuran at 20℃; for 24h; | 79 % Chromat. |
Conditions | Yield |
---|---|
With monoammonium 12-tungstophosphate for 12h; Heating; | 98% |
With sulfuric acid at 0 - 20℃; Reflux; Inert atmosphere; Sealed tube; | 59% |
With hydrogenchloride | |
With sulfuric acid | |
With toluene-4-sulfonic acid at 78℃; for 6h; Yield given; |
ethyl hept-2-ynoate
ethyl heptanoate
Conditions | Yield |
---|---|
With ethanol; (BQ‑NCOP)IrHCl; sodium t-butanolate at 100℃; for 15h; Inert atmosphere; Schlenk technique; Sealed tube; chemoselective reaction; | 96% |
Conditions | Yield |
---|---|
With bismuth(III) chloride; sodium tetrahydroborate In ethanol at 15℃; for 2.5h; | 92% |
Conditions | Yield |
---|---|
With 2,6-C6H3(CH2NMe2)2MnLiCl2 | 89% |
Conditions | Yield |
---|---|
With bis(1,5-cyclooctadiene)nickel (0) In tetrahydrofuran Ambient temperature; | 88% |
ethanol
hexan-1-amine
carbon monoxide
A
Ethyl hexanoate
B
ethyl n-valerate
C
ethyl heptanoate
D
N-hexylcarbamic acid ethyl ester
Conditions | Yield |
---|---|
With oxygen; Sulfate; zirconium(IV) oxide; palladium dichloride at 170℃; under 45003.6 Torr; for 3h; Further byproducts given. Title compound not separated from byproducts; | A n/a B n/a C n/a D 81% |
Conditions | Yield |
---|---|
dichlorobis(triphenylphosphine)palladium[II] In ethanol | 77% |
Conditions | Yield |
---|---|
With tert-Butyl peroxybenzoate; Tributylphosphin-phenyl-boran In chlorobenzene at 110℃; for 1h; Product distribution; various reagents; | 58% |
With tert-Butyl peroxybenzoate; Tributylphosphin-phenyl-boran In chlorobenzene at 110℃; for 1h; | 58% |
IUPAC Name:ethyl heptanoate
Molecular Formula:C9H18O2
Molecular Weight:158.238020 g/mol
Appearance:Colorless liquid
Melting Point:-66 °C(lit.)
Boiling Point:188-189 °C(lit.)
Flash Point:151 °F
Solubility:ethanol, ether and other organic solvents
Insolubility:water
density:0.87 g/mL at 25 °C(lit.)
refractive index:n20/D 1.412(lit.)
FEMA:2437
Merck:14,3835
BRN:1752311
Synonyms of ETHYL HEPTANOATE(106-30-9):
ETHYL OENANTHATE;ETHYL N-HEPTANOATE;ETHYL HEPTANOATE;ETHYL HEPTOATE;ETHYL HEPTYLATE;ETHYL ENANTHATE;ENANTHIC ACID ETHYL ESTER;HEPTANOIC ACID ETHYL ESTER
Categories of ETHYL HEPTANOATE(106-30-9):
Pharmaceutical Intermediates
1. | orl-rat LD50:>34,640 mg/kg | FCTXAV Food and Cosmetics Toxicology. 2 (1964),327. | ||
2. | skn-rbt LD50:>5 g/kg | FCTXAV Food and Cosmetics Toxicology. 19 (1981),247. |
First Aid Measures of ETHYL HEPTANOATE(106-30-9):
Ingestion:Get medical aid. Wash mouth out with water.
Inhalation:Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Skin:Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
Eyes:Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower lids. Get medical aid.
Storage of ETHYL HEPTANOATE(106-30-9):
Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed