- Triethyl orthoacetate
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Cas Database |
| Name |
Triethyl orthoacetate |
EINECS | 201-112-4 |
| CAS No. | 78-39-7 | Density | 0.902 g/cm3 |
| PSA | 27.69000 | LogP | 1.76960 |
| Solubility | slightly soluble in water | Melting Point |
N/A |
| Formula | C8H18O3 | Boiling Point | 145 °C at 760 mmHg |
| Molecular Weight | 162.229 | Flash Point | 36.1 °C |
| Transport Information | UN 3272 3/PG 3 | Appearance | clear colourless liquid |
| Safety | 26-37/39-16 | Risk Codes | 10-36/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Orthoaceticacid, triethyl ester (6CI,7CI,8CI);1,1,1-Triethoxyethane;Ethyl orthoacetate;NSC 5596; |
Article Data | 40 |
Triethyl orthoacetate Synthetic route
| Conditions | Yield |
|---|---|
| With boron trifluoride In Hexadecane at 110℃; for 12h; Autoclave; | 90% |
- 2678-54-8
ketene diethyl acetal
- 431-03-8
dimethylglyoxal
A
- 67079-92-9
3-hydroxy-3-methyl-levulinic acid ethylester
B
- 93183-68-7
2,2-diethoxy-4-acetyl-4-methyl-oxetane
C
- 141-78-6
ethyl acetate
D
- 78-39-7
Triethyl orthoacetate
| Conditions | Yield |
|---|---|
| In acetonitrile Ambient temperature; thermal reaction; | A n/a B 34% C n/a D n/a |
| Conditions | Yield |
|---|---|
| With ethyl acetate 1) 16h, 2) 4h, 40 deg C; | 27% |
- 60-29-7
diethyl ether
- 71-55-6
1,1,1-trichloroethane
- 141-52-6
sodium ethanolate
A
- 6498-47-1
3-chloro-but-3-en-2-ol
B
- 127-09-3
sodium acetate
C
- 141-78-6
ethyl acetate
D
- 78-39-7
Triethyl orthoacetate
| Conditions | Yield |
|---|---|
| at 100℃; |
- 64-17-5
ethanol
- 50966-31-9
1,1-dichloroethyl ethyl ether
- 141-52-6
sodium ethanolate
- 78-39-7
Triethyl orthoacetate
- 64-17-5
ethanol
- 98071-92-2
1-ethoxy-1,1-diazido-ethane
- 141-52-6
sodium ethanolate
- 78-39-7
Triethyl orthoacetate
- 408529-13-5
dibromo-orthoacetic acid triethyl ester
- 917-58-8
potassium ethoxide
A
- 40070-39-1
triethyl bromoorthoacetate
B
- 78-39-7
Triethyl orthoacetate
Triethyl orthoacetate Chemical Properties
Molecular Structure of Triethyl orthoacetate (CAS No.78-39-7):
.png)
Molecular Formula: C8H18O3
Molecular Weight: 162.23
IUPAC Name: 1,1,1-Triethoxyethane
CAS No: 78-39-7
EINECS: 201-112-4
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 27.69 Å2
Index of Refraction: 1.407
Molar Refractivity: 44.31 cm3
Molar Volume: 179.7 cm3
Surface Tension: 25.6 dyne/cm
Density: 0.902 g/cm3
Flash Point: 36.1 °C
Enthalpy of Vaporization: 36.63 kJ/mol
Boiling Point: 145 °C at 760 mmHg
Vapour Pressure: 6.25 mmHg at 25°C
Storage Temp.: Flammables area
Water Solubility : Slightly soluble
Refractive index: 1.395-1.398
Appearance: Colorless transparent liquid
Canonical SMILES: CCOC(C)(OCC)OCC
InChI: InChI=1S/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3
InChIKey: NDQXKKFRNOPRDW-UHFFFAOYSA-N
Product Categories: Intermediates of Dyes and Pigments;Orthoesters
Triethyl orthoacetate Uses
Triethyl orthoacetate (CAS No.78-39-7) have such uses as following:
1. It can be used as pharmaceutical and water scavenger.
2. It also can be used in organic synthesis for the introduction of the acetate group to an alcohol.
3.It also can be used in the Johnson-Claisen rearrangement.
Triethyl orthoacetate Safety Profile
Safety Information of Triethyl orthoacetate (CAS No.78-39-7):
Hazard Codes: 
Xi
Risk Statements: 10-36/38
R10:Flammable.
R36/38:Irritating to eyes and skin.
Safety Statements: 26-37/39-16
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S16:Keep away from sources of ignition.
RIDADR: UN 3272 3/PG 3
WGK Germany: 1
HazardClass: 3
PackingGroup: III
HS Code: 29159080
Triethyl orthoacetate Standards and Recommendations
Content: 98.5% min
Water: 0.05% max
Triethyl orthoacetate Specification
Triethyl orthoacetate (CAS No.78-39-7), it also can be called Orthoaceticacid, triethyl ester (6CI,7CI,8CI) ; 1,1,1-Triethoxyethane ; Ethyl orthoacetate ; NSC 5596 . It should be stored away from oxidizing agents,store away from water/moisture, store away from oxidizing agents, store in cool, dry conditions in well sealed containers. Triethyl orthoacetate (CAS No.78-39-7) is moisture sensitive, keep container tightly sealed, and protect from humidity and water.
Triethyl orthoacetate is the ethyl orthoacetate 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.
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