ETHYL HEPTANOATE supplier | CasNO.106-30-9

Name
Ethyl heptanoate
EINECS 203-382-9
CAS No. 106-30-9
Article Data60
CAS DataBase
Density 0.868 g/cm³
Solubility 126mg/L at 20℃
Melting Point -66 °C(lit.)
Formula C₉H₁₈O₂
Boiling Point 188.3 °C at 760 mmHg
Molecular Weight 158.241
Flash Point 66.1 °C
Transport Information
Appearance clear colorless liquid
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 26.30000
LogP 2.51990

Synthetic route

: ethyl-2-dimethylsilylheptanoate

: 106-30-9
ethyl heptanoate

Conditions

Conditions	Yield
With tetrabutylammonium tetrafluoroborate In acetonitrile Electrolysis;	99%

: 25118-23-4
ethyl 6-heptenoate

: 106-30-9
ethyl heptanoate

Conditions

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.

: 64-17-5
ethanol

: 111-14-8
oenanthic acid

: 106-30-9
ethyl heptanoate

Conditions

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

Conditions	Yield
With ethanol; (BQ‑NCOP)IrHCl; sodium t-butanolate at 100℃; for 15h; Inert atmosphere; Schlenk technique; Sealed tube; chemoselective reaction;	96%

: 2351-88-4
ethyl 2-heptenoate

: 106-30-9
ethyl heptanoate

Conditions

Conditions	Yield
With bismuth(III) chloride; sodium tetrahydroborate In ethanol at 15℃; for 2.5h;	92%

: 539-74-2
Ethyl 3-bromopropionate

: 693-04-9
butyl magnesium bromide

: 106-30-9
ethyl heptanoate

Conditions

Conditions	Yield
With 2,6-C6H3(CH2NMe2)2MnLiCl2	89%

: 15676-66-1
tri-n-butylindium

: 140-88-5
ethyl acrylate

: 106-30-9
ethyl heptanoate

Conditions

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

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%

...Expand

: tin(II)chloride dihydrate

: 592-41-6
1-hexene

1-hexane: 1-hexane

: 106-30-9
ethyl heptanoate

Conditions

Conditions	Yield
dichlorobis(triphenylphosphine)palladium[II] In ethanol	77%

...Expand

: 542-69-8
1-iodo-butane

: 140-88-5
ethyl acrylate

: 106-30-9
ethyl heptanoate

Conditions

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%

: 623-73-4
diazoacetic acid ethyl ester

: 109-66-0
pentane

A: 41692-47-1
ethyl 3-methylhexanoate

B: 106-30-9
ethyl heptanoate

C: 80246-72-6
ethyl-3-ethyl-pentanoate

Conditions

Conditions	Yield
With F27-Tp(4Bo,3CF2CF3)Ag(thf) In carbon dioxide at 40℃; under 152010 Torr; Supercritical conditions; regioselective reaction;	A 39% B 50% C 11%
With C31H9AgBF27N6O Supercritical conditions; regioselective reaction;	A 39% B 50% C 11%
With C28H6Ag2Au2F24N2 In cyclohexane for 12h; Inert atmosphere; regioselective reaction;
With carbon dioxide; (hydrotris{[3,5-bis(trifluoromethyl)-4-bromo]pyrazol-1-yl}borate)Cu(NCMe) at 40℃; under 76005.1 Torr; for 8h; Reagent/catalyst; Schlenk technique; Supercritical conditions; regioselective reaction;
With C56H82Cl2Cu2N4O2P2; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate In dichloromethane at 20℃; for 12h; Inert atmosphere; Schlenk technique; Overall yield = 34 percent;

...Expand

: 16627-11-5
(E)-1-ethoxyhept-1-ene

A: 111-14-8
oenanthic acid

B: 106-30-9
ethyl heptanoate

C: 2624-01-3
2-bromoheptanoic acid

D: 355152-68-0
ethyl 2-bromoheptanoate

Conditions

Conditions	Yield
With sodium bromate; sodium hydrogensulfite In water at 60℃; for 16.25h; Oxidation; bromination;	A 22% B 11% C 35% D 12%

...Expand

: 623-73-4
diazoacetic acid ethyl ester

: 109-66-0
pentane

A: 41692-47-1
ethyl 3-methylhexanoate

B: 106-30-9
ethyl heptanoate

C: C11H20O4

D: 80246-72-6
ethyl-3-ethyl-pentanoate

Conditions

Conditions	Yield
With C15HBBr3F18N6(1-)Ag(1+)C4H8O In water at 20℃; for 14h; regioselective reaction;	A 25% B 20% C 7% D 8%

...Expand

: 51556-10-6
1-heptynyl chloride

: 141-52-6
sodium ethanolate

A: 111-14-8
oenanthic acid

B: 1-ethoxy-1-chloro-hept-1-ene

C: 106-30-9
ethyl heptanoate

...Expand

: 4558-31-0
1-ethoxy-hept-1-yne

: 106-30-9
ethyl heptanoate

Conditions

Conditions	Yield
With hydrogenchloride

: 10031-90-0
ethyl 3-(furan-2-yl)propanoate

: 106-30-9
ethyl heptanoate

Conditions

Conditions	Yield
With hydrogen; platinum on activated charcoal at 300℃;

: 542-69-8
1-iodo-butane

: 64-17-5
ethanol

: 36240-47-8
diethyl 1-trimethylsilyloxy 2-propenyl phosphonate

: 106-30-9
ethyl heptanoate

Conditions

Conditions	Yield
(i) LDA, THF, (ii) /BRN= 1420755/, (iii) /BRN= 1718733/, TsOH; Multistep reaction;

...Expand

: 64-17-5
ethanol

: 20175-16-0
2-iodoheptanal

: 106-30-9
ethyl heptanoate

Conditions

Conditions	Yield
With silver (I) ion In diethyl ether

: 64-17-5
ethanol

: 462-18-0
tridecan-7-one

: 106-30-9
ethyl heptanoate

Conditions

Conditions	Yield
With nitrosylchloride In liquid sulphur dioxide

: 64-17-5
ethanol

: 54251-63-7
tert.-Butyldimethylsilylheptanol

: 106-30-9
ethyl heptanoate

Conditions

Conditions	Yield
(i) (COCl)2, DMF, CH2Cl2, (ii) /BRN= 1718733/, Py, Et2O; Multistep reaction;

: 42216-96-6
triethyl orthoacrylate

: 693-04-9
butyl magnesium bromide

: 106-30-9
ethyl heptanoate

Conditions

Conditions	Yield
(i) CuBr*2P(OEt)3, THF, (ii) aq. H2SO4; Multistep reaction;

: 122-56-5
tributyl borane

: 140-88-5
ethyl acrylate

: 106-30-9
ethyl heptanoate

Conditions

Conditions	Yield
(i) I, (electrolysis), (ii) aq. NaOH, H2O2; Multistep reaction;

: 592-41-6
1-hexene

: 64-17-5
ethanol

: 201230-82-2
carbon monoxide

A: 32400-29-6
ethyl 2-methylhexanoate

B: 106-30-9
ethyl heptanoate

Conditions

Conditions	Yield
tungsten hexacarbonyl; tin(ll) chloride In ethanol at 180℃; under 150012 Torr; for 10h; Product distribution; further catalyst;	A 80 % Chromat. B 15 % Chromat.
allyl(benzene)dicarbonylchromium(I) tetrafluoroborate at 180 - 200℃; under 135011 Torr; for 10h;	A 70 % Chromat. B 23 % Chromat.
With toluene-4-sulfonic acid; tetrakis(triphenylphosphine) palladium(0) at 100℃; under 15001.2 Torr; for 4h;

...Expand

: 64-17-5
ethanol

: 343217-90-3
3,5-dihexyl-1,2,4-trioxolan

A: 688-82-4
1,1-diethoxyheptane

B: 106-30-9
ethyl heptanoate

Conditions

Conditions	Yield
With chlorosulfonic acid for 96h;
With chlorosulfonic acid for 96h; Title compound not separated from byproducts;

...Expand

: 104-15-4
toluene-4-sulfonic acid

: 13504-67-1
diethyl heptanoylphosphonate

A: 106-30-9
ethyl heptanoate

B: 80-40-0
ethyl ester of p-toluenesulfonic acid

Conditions

Conditions	Yield
In benzene for 12h; Heating; Yield given;

...Expand

: 543-63-5
n-butylmercuric chloride

: 140-88-5
ethyl acrylate

: 106-30-9
ethyl heptanoate

Conditions

Conditions	Yield
With triethylsilane; sodium thiosulfate; potassium iodide 1.) DMSO, 14 h, 2.) DMSO; Yield given. Multistep reaction;

: 539-74-2
Ethyl 3-bromopropionate

: 109-69-3
n-Butyl chloride

: 106-30-9
ethyl heptanoate

Conditions

Conditions	Yield
With 1-butylmanganase-2,6-bis(dimethylaminomethylene)benzene; magnesium; copper(l) chloride 1) THF, 2) THF, 15 min, 5 deg C; Yield given. Multistep reaction;

: 7553-56-2
iodine

: 539-88-8
4-oxopentanoic acid ethyl ester

α-bromo-enanthic acid ethyl ester: α-bromo-enanthic acid ethyl ester

zinc: zinc

A: 106-30-9
ethyl heptanoate

B γ lactone of 3-oxy-3-methyl-nonane-dicarboxylic acid-(1.4)-ethyl ester: γ lactone of 3-oxy-3-methyl-nonane-dicarboxylic acid-(1.4)-ethyl ester

...Expand

: 592-41-6
1-hexene

: 64-17-5
ethanol

carbon monoxide: carbon monoxide

cobalt: cobalt

A: 106-30-9
ethyl heptanoate

B 2-methyl-n-caproic acid ethyl ester: 2-methyl-n-caproic acid ethyl ester

Conditions

Conditions	Yield
at 180℃; under 220652 Torr;

...Expand

: 1066-35-9
dimethylmonochlorosilane

: 106-30-9
ethyl heptanoate

: ethyl-2-dimethylsilylheptanoate

Conditions

Conditions	Yield
Stage #1: ethyl heptanoate With lithium diisopropyl amide In tetrahydrofuran at -78 - 20℃; for 4h; Stage #2: dimethylmonochlorosilane In tetrahydrofuran at -78 - 20℃;	95%
Stage #1: ethyl heptanoate With lithium diisopropyl amide at -78℃; Stage #2: dimethylmonochlorosilane	95%

: 106-30-9
ethyl heptanoate

: 108-91-8
cyclohexylamine

: 41846-01-9
N-cyclohexylheptanamide

Conditions

Conditions	Yield
With potassium tert-butylate for 0.0666667h; microwave irradiation;	95%

: 106-30-9
ethyl heptanoate

: 925-90-6
ethylmagnesium bromide

: 113858-50-7
1-Hydroxycyclopropylhexane

Conditions

Conditions	Yield
With titanium(IV) isopropylate; sulfuric acid In diethyl ether at 10℃;	95%
With titanium(IV) isopropylate In tetrahydrofuran at 0 - 20℃; Reflux; Inert atmosphere; Sealed tube;	40%

: 106-30-9
ethyl heptanoate

: 62-53-3
aniline

: 56051-98-0
heptananilide

Conditions

Conditions	Yield
With potassium tert-butylate for 0.0666667h; microwave irradiation;	93%

: 2564-83-2, 45842-10-2
2,2,6,6-Tetramethyl-1-piperidinyloxy free radical

: 106-30-9
ethyl heptanoate

: 215812-73-0
ethyl 2-(2,2,6,6-tetramethylpiperidin-1-yloxy)heptanoate

Conditions

Conditions	Yield
Stage #1: ethyl heptanoate With n-butyllithium; diisopropylamine; lithium chloride In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical With ferrocenium hexafluorophosphate In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere;	92%

: 106-30-9
ethyl heptanoate

: 109-73-9
N-butylamine

: 24928-32-3
N-butylheptanamide

Conditions

Conditions	Yield
With potassium tert-butylate for 0.1h; microwave irradiation;	90%

: 106-30-9
ethyl heptanoate

: 917-54-4
methyllithium

: 628-44-4
2-methyl-2-octanol

Conditions

Conditions	Yield
In hexane at -78 - 20℃; for 1.16667h;	90%

: 106-30-9
ethyl heptanoate

: 95-51-2
2-Chloroaniline

: heptanoic acid (2-chloro-phenyl)-amide

Conditions

Conditions	Yield
With potassium tert-butylate for 0.0833333h; microwave irradiation;	84%

: 106-30-9
ethyl heptanoate

: 67556-63-2
O-ethyl heptanethioic acid

Conditions

Conditions	Yield
With tetraphosphorus decasulfide; Hexamethyldisiloxane In xylene Heating;	75%
With tetraphosphorus decasulfide; Hexamethyldisiloxane In xylene for 4h; Heating;	75%
With Lawessons reagent In xylene at 140℃;

: 25445-78-7
methyl 2-thienyl ketone N-ethoxycarbonylhydrazone

: 106-30-9
ethyl heptanoate

: ethyl 5-hexyl-3-(2-thienyl)pyrazole-1-carboxylate

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; hexane at -78℃;	72%

: 106-30-9
ethyl heptanoate

: 98-95-3
nitrobenzene

: 56051-98-0
heptananilide

Conditions

Conditions	Yield
Stage #1: ethyl heptanoate; nitrobenzene With chromium chloride; chloro-trimethyl-silane; magnesium; 4,4'-di-tert-butyl-2,2'-bipyridine In tetrahydrofuran at 90℃; for 12h; Schlenk technique; Inert atmosphere; Stage #2: With hydrogenchloride; water In tetrahydrofuran	71%

: 106-30-9
ethyl heptanoate

: 201230-82-2
carbon monoxide

: 594-19-4
tert.-butyl lithium

: 136201-73-5
1-tert-butyl-1,2-octanedione

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether; hexane; pentane a) -110 deg C, 2 h, b) to r.t.;	70%

...Expand

: 2564-83-2, 45842-10-2
2,2,6,6-Tetramethyl-1-piperidinyloxy free radical

: 106-30-9
ethyl heptanoate

A: 3-oxo-2-pentyl-nonanoic acid ethyl ester

B: 215812-73-0
ethyl 2-(2,2,6,6-tetramethylpiperidin-1-yloxy)heptanoate

C: (2S,3R)-2,3-Dipentyl-succinic acid diethyl ester

: (2S,3S)-2,3-Dipentyl-succinic acid diethyl ester

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide; ferrocenium hexafluorophosphate; lithium diisopropyl amide In tetrahydrofuran at -78℃;	A n/a B 67% C n/a D 25%

...Expand

: 106-30-9
ethyl heptanoate

A: 3-oxo-2-pentyl-nonanoic acid ethyl ester

B: 215812-73-0
ethyl 2-(2,2,6,6-tetramethylpiperidin-1-yloxy)heptanoate

C: (2S,3R)-2,3-Dipentyl-succinic acid diethyl ester

: (2S,3S)-2,3-Dipentyl-succinic acid diethyl ester

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide; 2,2,6,6-tetramethyl-piperidine-N-oxyl; ferrocenium hexafluorophosphate; lithium diisopropyl amide In tetrahydrofuran at -78℃;	A n/a B 67% C n/a D 25%

...Expand

: 2564-83-2, 45842-10-2
2,2,6,6-Tetramethyl-1-piperidinyloxy free radical

: 106-30-9
ethyl heptanoate

A: 215812-73-0
ethyl 2-(2,2,6,6-tetramethylpiperidin-1-yloxy)heptanoate

: (2S,3S)-2,3-Dipentyl-succinic acid diethyl ester

Conditions

Conditions	Yield
Stage #1: ethyl heptanoate With N,N,N,N,N,N-hexamethylphosphoric triamide; n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical With ferrocenium hexafluorophosphate In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere;	A 67% B 25%

...Expand

: 4342-07-8
5-amino-1,2,3-triazole-4-carboxamide

: 106-30-9
ethyl heptanoate

: 5-Hexyl-1,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Conditions

Conditions	Yield
With sodium ethanolate In ethanol Heating;	64%

: 74-97-5
chlorobromomethane

: 106-30-9
ethyl heptanoate

: 63988-10-3
1-chloro-2-octanone

Conditions

Conditions	Yield
With sec.-butyllithium; lithium bromide In tetrahydrofuran; diethyl ether; pentane at -115℃; for 1.5h;	62%

: 119-61-9
benzophenone

: 106-30-9
ethyl heptanoate

: 1-hydroxy-1,1-diphenyloctan-2-one

Conditions

Conditions	Yield
With lanthanum; iodine In tetrahydrofuran at 25℃; for 3h; Inert atmosphere;	59%

: 7-methoxycarbonylmethyl-2-(4-(4-phenylbenzoylamino)butyl)-1,2,3,4-tetrahydroisoquinoline

: 106-30-9
ethyl heptanoate

: 7-Ethoxycarbonylmethyl-2-(4-(4-phenylbenzoylamino)butyl)-1,2,3,4-tetrahydroisoquinoline

Conditions

Conditions	Yield
With sulfuric acid In ethanol; ethyl acetate	56%

ETHYL HEPTANOATE Chemical Properties

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

ETHYL HEPTANOATE Uses

ETHYL HEPTANOATE(106-30-9) is used as a food flavoring agent,also used in organic synthesis.

ETHYL HEPTANOATE 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.

ETHYL HEPTANOATE Consensus Reports

Reported in EPA TSCA Inventory.

ETHYL HEPTANOATE Safety Profile

Safety Information of ETHYL HEPTANOATE(106-30-9):
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.

ETHYL HEPTANOATE 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

Product Name

Ethyl heptanoate

Synthetic route

ETHYL HEPTANOATE Chemical Properties

ETHYL HEPTANOATE Uses

ETHYL HEPTANOATE Toxicity Data With Reference

ETHYL HEPTANOATE Consensus Reports

ETHYL HEPTANOATE Safety Profile

ETHYL HEPTANOATE Specification

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