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| CAS No.: | 106-30-9 |
|---|---|
| Name: | Ethyl heptanoate |
| 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 |
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- 106-30-9
ethyl heptanoate
| Conditions | Yield |
|---|---|
| With tetrabutylammonium tetrafluoroborate In acetonitrile Electrolysis; | 99% |
- 25118-23-4
ethyl 6-heptenoate
- 106-30-9
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; |
- 16930-95-3
ethyl hept-2-ynoate
- 106-30-9
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% |
- 64-17-5
ethanol
- 111-26-2
hexan-1-amine
- 201230-82-2
carbon monoxide
A
- 123-66-0
Ethyl hexanoate
B
- 539-82-2
ethyl n-valerate
C
- 106-30-9
ethyl heptanoate
D
- 7451-47-0
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% |
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Chemistry
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
Uses
Toxicity Data With Reference
| 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. |
Consensus Reports
Safety Profile
Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:37/39-26
37/39:Wear suitable gloves and eye/face protection
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany:1
RTECS:MJ2087000
HS Code:29159080
Low toxicity by ingestion and skin contact. Flammable liquid when exposed to heat, sparks, or flame. When heated to decomposition it emits acrid smoke and irritating fumes.
Specification
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