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Triethyl orthoacetate

Triethyl orthoacetate structure

CAS No:
78-39-7
Formula:
C8H18O3
Chemical Name:
Triethyl orthoacetate
Synonyms:
Ethane,1,1,1-triethoxy-;Orthoacetic acid,triethyl ester;1,1,1-Triethoxyethane;Triethyl orthoacetate;Ethyl orthoacetate;NSC 5596
Categories:
Agrochemicals > Pesticide Intermediates

Description

clear colourless liquid

Triethyl orthoacetate is the ethyl orthoester of acetic acid. It is also known as 1,1,1-triethoxyethane, and is an oily liquid with a colour that is anywhere from yellow to colorless. It is also known for its pungent odour.

Triethyl orthoacetate Basic Attributes

Molecular Weight：

162.23

Exact Mass：

162.23

BRN：

506201

EC Number：

201-112-4

UNII：

48352MHC78

NSC Number：

5596

DSSTox ID：

DTXSID4058815

HScode：

2915390090

Characteristics

PSA：

27.7

XLogP3：

1.3

Appearance：

Clear colorless to slightly yellow Liquid

Density：

0.8847 g/cm³ @ Temp: 25 °C

Boiling Point：

145 °C

Flash Point：

97 °F

Refractive Index：

1.408

Water Solubility：

H2O: SLIGHTLY soluble

Storage Conditions：

Flammables area

Vapor Pressure：

3.4 hPa (20 °C)

Explosive limit：

0.9-7.0%(V)

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

10-36/38

safety instructions：

26-37/39-16

RTECS Number：

KJ4075000

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H226-H315-H319

RIDADR：

UN 3272

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 92 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Triethyl orthoacetate Use and Manufacturing

Methods of Manufacturing

The preparation method of triethyl orthoacetate is similar to that of trimethyl orthoacetate. The acetonitrile, toluene and absolute ethanol are pumped into the salt-forming pot, cooled to -10～-5℃, and a metered amount of dry hydrogen chloride is introduced to maintain the salt. Temperature -5～0℃, when hydrogen chloride is passed through, react at 0℃ for 1h, then keep it at 0～20℃ for 0.5h, move to the alcoholysis pot for salt formation reaction, keep the temperature at 20～25℃, while stirring The reaction takes about 12 hours. The intermediate imino ether hydrochloride is gradually precipitated. Cool to 0～5℃, then add pre-cooled absolute ethanol and thymol blue indicator, accelerate the stirring, and slowly introduce ammonia gas Neutralize the alcoholysis material and observe the indicator color change until it turns from red to yellow and no longer turns red, pH=3.6. At this time, the aeration is finished, and then the alcoholysis reaction is carried out at 40°C for about 8-9 hours, and the material is cooled. , Filtered through a centrifuge to remove ammonium chloride, the filtrate was pumped into the neutralization pot, and 17% sodium ethoxide ethanol solution was added to adjust the pH of the solution to 8-9, and the alcoholysis product was pumped into the distillation pot for atmospheric distillation, and the temperature was controlled at Ethanol was recovered at 75°C, the remaining liquid was cooled and filtered to remove acetamide and sodium chloride solids, and then washed with 1% Na2CO3 solution, separated into layers, and the oil layer was subjected to vacuum distillation. The toluene was evaporated first, and then 88-98°C/0.07 was collected. The MPa fraction is triethyl orthoacetate. Reaction equation: CH3CN+C2H5OH[HCl]→CH3C(OCH5)3+NH4Cl

Uses

It is an intermediate for the synthesis of medicine, dyes and pesticides.

Manufacturing Info：

Ethane, 1,1,1-triethoxy-: ACTIVE

Computed Properties

Molecular Weight:162.23
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:162.125594432
Monoisotopic Mass:162.125594432
Topological Polar Surface Area:27.7
Heavy Atom Count:11
Complexity:76.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

854838-42-9

60-29-7

60-29-7

Material

Ammonium chloride

Ethanol

Sodium chloride

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