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626-86-8

Basic Information
CAS No.: 626-86-8
Name: Hexanedioic acid,1-ethyl ester
Article Data: 38
Molecular Structure:
Molecular Structure of 626-86-8 (Hexanedioic acid,1-ethyl ester)
Formula: C8H14O4
Molecular Weight: 174.197
Synonyms: Adipicacid, ethyl ester (6CI,7CI);Adipic acid, monoethyl ester (8CI);Hexanedioicacid, monoethyl ester (9CI);1,4-Butanedicarboxylic acid monoethyl ester;6-Ethoxy-6-oxohexanoic acid;Ethyl hydrogen adipate;Ethyl hydrogenhexanedioate;Monoethyl adipate;Monoethyl hexanedioate;NSC 8877;
EINECS: 210-966-7
Density: 1.098 g/cm3
Melting Point: 28-29 °C(lit.)
Boiling Point: 285.72 °C at 760 mmHg
Flash Point: 110.837 °C
Solubility: Soluble in water.
Appearance: solid
Safety: 24/25
PSA: 63.60000
LogP: 1.19450
Synthetic route
124-04-9

Adipic acid

64-17-5

ethanol

626-86-8

adipinic acid monoethyl ester

Conditions
ConditionsYield
With acetic acid In chloroform; water at 60℃; for 8h; Reagent/catalyst; Temperature; Solvent;98.4%
With aluminum oxide at 25℃; for 48h; Time; Green chemistry; chemoselective reaction;28%
With sulfuric acid

adipic acid benzyl ethyl ester

626-86-8

adipinic acid monoethyl ester

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In ethanol at 20℃; under 760.051 Torr; for 1.5h; Inert atmosphere;95%
5299-60-5

6-hydroxy-hexanoic acid ethyl ester

626-86-8

adipinic acid monoethyl ester

Conditions
ConditionsYield
With iodosylbenzene; potassium bromide In water at 20℃; for 2h; Oxidation;92%
5299-60-5

6-hydroxy-hexanoic acid ethyl ester

A

626-86-8

adipinic acid monoethyl ester

B

hexanedioic acid 5-ethoxycarbonyl-pentyl ester ethyl ester

Conditions
ConditionsYield
With potassium bromide; poly(diacetoxyiodo)styrene In water at 80℃; for 7h;A 92%
B n/a
124-04-9

Adipic acid

141-78-6

ethyl acetate

626-86-8

adipinic acid monoethyl ester

Conditions
ConditionsYield
With iron(III) perchlorate for 2h; Ambient temperature;90%
542-69-8

1-iodo-butane

78437-79-3

Hexanedioic acid ethyl ester 6-(2-methoxy-ethyl)-pyridin-2-yl ester

A

626-86-8

adipinic acid monoethyl ester

B

4144-61-0

6-oxo-decanoic acid ethyl ester

Conditions
ConditionsYield
With nickel dichloride; zinc In N,N-dimethyl-formamide at 50℃; for 5h;A 8%
B 86%
14660-52-7

ethyl 5-bromovalerate

124-38-9

carbon dioxide

626-86-8

adipinic acid monoethyl ester

Conditions
ConditionsYield
Stage #1: ethyl 5-bromovalerate With chloro-trimethyl-silane; iodine; ethylene dibromide; lithium chloride; zinc In tetrahydrofuran at 50℃; Inert atmosphere;
Stage #2: carbon dioxide With [Ni(PCy3)2]2(N2) In tetrahydrofuran; toluene at 0℃; under 760.051 Torr; Inert atmosphere;
Stage #3: With hydrogenchloride In tetrahydrofuran; water; ethyl acetate; toluene
86%
1190-69-8

adipic acid ethyl ester-amide

626-86-8

adipinic acid monoethyl ester

Conditions
ConditionsYield
With 4,5,6,7-tetrafluoroisobenzofuran-1,3-dione at 135℃; for 60h;83%
124-04-9

Adipic acid

105-37-3

Ethyl propionate

A

626-86-8

adipinic acid monoethyl ester

B

141-28-6

diethyl adipate

Conditions
ConditionsYield
With Dowex 50Wx2 In octane at 70℃; for 4h; Esterification;A 72%
B 7%
14660-52-7

ethyl 5-bromovalerate

124-38-9

carbon dioxide

584-08-7

potassium carbonate

A

539-82-2

ethyl n-valerate

B

626-86-8

adipinic acid monoethyl ester

Conditions
ConditionsYield
With nickel(II) bromide dimethoxyethane; 2.9-dimethyl-1,10-phenanthroline; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; C60H36N2 In N,N-dimethyl-formamide at 20℃; for 24h; Molecular sieve; Irradiation;A 25 %Spectr.
B 66%
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  • Casno:

    626-86-8

    Adipic acid monoethyl ester

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Chemistry

Empirical Formula: C8H14O4
Molecular Weight: 174.1944 
EINECS: 210-966-7
Index of Refraction: 1.447
Density: 1.097 g/cm3
Flash Point: 110.8 °C
Enthalpy of Vaporization: 57.74 kJ/mol
Boiling Point: 285.7 °C at 760 mmHg
Vapour Pressure: 0.000709 mmHg at 25 °C
Melting point: 28-29 °C(lit.)
Appearance: Solid
Product categories of Adipic acid monoethyl ester (CAS NO.626-86-8): Ester series
Structure of Adipic acid monoethyl ester (CAS NO.626-86-8):
                  
IUPAC Name: 6-Ethoxy-6-oxohexanoic acid
Canonical SMILES: CCOC(=O)CCCCC(=O)O
InChI: InChI=1S/C8H14O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3,(H,9,10)
InChIKey: UZNLHJCCGYKCIL-UHFFFAOYSA-N
 

Uses

 Adipic acid monoethyl ester (CAS NO.626-86-8) has been used in organic synthesis, pharmaceutical intermediates, solvents, etc..

Toxicity Data With Reference

1.    

orl-uns LD50:4100 mg/kg

    GTPZAB    Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 21 (10)(1977),39.

Carcinogenicity of Adipic acid monoethyl ester (CAS NO.626-86-8) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. You can see actual entry in RTECS for complete information.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Mildly toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
 

Safety Statements:S24/25:Avoid contact with skin and eyes.

Specification

 Adipic acid monoethyl ester ,its cas register number is 626-86-8. It also can be called Monoethyl Adipate ; Hexanedioic acid, monoethyl ester acid monoethyl ester . It is hazardous,so the first aid measures and others should be known. Such as: When on the skin: first,should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly,Get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : If victim is conscious and alert, give 2-4 cupfuls of milk or water.
In addition, Adipic acid monoethyl ester (CAS NO.626-86-8) can be stable under normal temperature and pressure conditions. You must not take it with strong oxidants. And also prevent it to broken down into hazardous decomposition products: irritating and toxic fumes and gases.