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Name	ETHYL HEPTANOATE	EINECS	203-382-9
CAS No.	106-30-9	Density	0.868 g/cm³
PSA	26.30000	LogP	2.51990
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	N/A	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;	Article Data	60

ETHYL HEPTANOATE 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%

: 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%

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

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