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| CAS No.: | 1445-45-0 |
|---|---|
| Name: | Trimethyl orthoacetate |
| Article Data: | 18 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H12O3 |
| Molecular Weight: | 120.148 |
| Synonyms: | Orthoacetic acid, trimethyl ester;Ethane, 1,1,1-trimethoxy-; |
| EINECS: | 215-892-9 |
| Density: | 0.922 g/cm3 |
| Melting Point: | -58oC |
| Boiling Point: | 108 °C at 760 mmHg |
| Flash Point: | 16.7 °C |
| Solubility: | hydrolysis in water |
| Appearance: | Colorless transparent liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-43-38-36/37/38 |
| Safety: | 16-37/39-24-33-26-7/9 |
| Transport Information: | UN 3272 3/PG 2 |
| PSA: | 27.69000 |
| LogP: | 0.59930 |
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| Conditions | Yield |
|---|---|
| Stage #1: methanol; acetonitrile With hydrogenchloride; cetyltrimethylammonium chloride In hexane at -10℃; for 6h; Large scale; Stage #2: methanol at 40℃; for 4h; pH=5-6; Reagent/catalyst; Temperature; Large scale; | 95.16% |
| Stage #1: methanol; acetonitrile With hydrogenchloride In 1,3,5-trimethyl-benzene at 0 - 25℃; for 8h; Large scale; Stage #2: With ammonia at 0 - 39℃; for 8h; pH=5 - 6; Solvent; Large scale; | 87% |
| Stage #1: methanol; acetonitrile With hydrogenchloride In 1,3,5-trimethyl-benzene at 0 - 25℃; Large scale; Stage #2: With ammonia at 37 - 39℃; for 8h; pH=5-6; Solvent; Large scale; | 87% |
| Conditions | Yield |
|---|---|
| With ammonia at 0 - 40℃; pH=5.6; | 80% |
- 67-56-1
methanol
- 594-72-9
1,1-dichloro-1-nitroethane
- 124-41-4
sodium methylate
- 1445-45-0
Trimethyl orthoacetate
| Conditions | Yield |
|---|---|
| Irradiation; | 56% |
- 922-69-0
1,1-dimethoxyethylene
- 75-07-0
acetaldehyde
A
- 1445-45-0
Trimethyl orthoacetate
B
- 123-73-9
trans-Crotonaldehyde
C
- 623-43-8
crotonic acid methyl ester
D
- 79-20-9
acetic acid methyl ester
| Conditions | Yield |
|---|---|
| at 150℃; |
- 67-56-1
methanol
- 60-29-7
diethyl ether
- 82190-86-1
1-((2-chloroethyl)oxy)ethanimine hydrochloride
A
- 1445-45-0
Trimethyl orthoacetate
B
- 82190-84-9
1,1-divinyloxy-1-methoxyethane
| Conditions | Yield |
|---|---|
| With potassium tert-butylate Yield given. Yields of byproduct given; |
| Conditions | Yield |
|---|---|
| With triethylamine at 37℃; Irradiation; gas phase alcoholysis; Yield given; |
- 1445-45-0
Trimethyl orthoacetate
- 87-91-2
diethyl (2R,3R)-tartrate
- 134745-01-0
diethyl (4R)-trans-2-methoxy-2-methyl-1,3-dioxolan-4,5-dicarboxylate
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In dichloromethane at 20℃; for 12h; | 100% |
| With sulfuric acid In benzene at 80℃; | 98% |
- 1445-45-0
Trimethyl orthoacetate
- 69097-20-7
tris(trimethylsilyloxy)ethylene
- 108009-58-1
3,3-Dimethoxy-2-(trimethylsiloxy)butansaeure-trimethylsilylester
| Conditions | Yield |
|---|---|
| With trimethylsilyl trifluoromethanesulfonate In dichloromethane at 0℃; for 16h; | 100% |
- 1445-45-0
Trimethyl orthoacetate
- 122517-81-1
(2R,3S)-methyl 2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
- 106146-95-6
(4R,5S)-2-Methoxy-5-(4-methoxy-phenyl)-2-methyl-[1,3]dioxolane-4-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid | 100% |
- 1445-45-0
Trimethyl orthoacetate
- 82204-15-7
4-methoxy-2-(trimethylsilyloxy)furan
- 82204-19-1
methyl 5-(1,1-dimethoxyethyl)tetronate
| Conditions | Yield |
|---|---|
| With titanium tetrachloride In dichloromethane -95 deg C, 1 h, RT., 2 days; | 100% |
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Chemistry
Molecular Structure of Trimethyl orthoacetate (CAS No.1445-45-0):
Molecular Formula: C5H12O3
Molecular Weight: 120.14698
IUPAC Name: 1,1,1-Trimethoxyethane
CAS No: 1445-45-0
EINECS: 215-892-9
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 27.69 Å2
Index of Refraction: 1.383
Molar Refractivity: 30.41 cm3
Molar Volume: 130.2 cm3
Surface Tension: 23 dyne/cm
Density: 0.922 g/cm3
Flash Point: 16.7 °C
Enthalpy of Vaporization: 33.25 kJ/mol
Boiling Point: 108 °C at 760 mmHg
Vapour Pressure: 30.9 mmHg at 25°C
Solubility: Hydrolysis in water
Storage Temp.: Flammables area
Appearance: Clear colourless to slightly brown liquid
Canonical SMILES: CC(OC)(OC)OC
InChI: InChI=1S/C5H12O3/c1-5(6-2,7-3)8-4/h1-4H3
InChIKey: HDPNBNXLBDFELL-UHFFFAOYSA-N
Product Categories: Orthoesters
Safety Profile
Safety Information of Trimethyl orthoacetate (CAS No.1445-45-0):
Hazard Codes: 
F,
Xi
Risk Statements: 11-43-38-36/37/38
R11:Highly flammable.
R43:May cause sensitization by skin contact.
R38:Irritating to skin.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-37/39-24-33-26-7/9
S16:Keep away from sources of ignition.
S37/39:Wear suitable gloves and eye/face protection.
S24:Avoid contact with skin.
S33:Take precautionary measures against static discharges.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S7:Keep container tightly closed.
S9:Keep container in a well-ventilated place.
RIDADR: UN 3272 3/PG 2
WGK Germany: 1
HazardClass: 3
PackingGroup: II
HS Code: 29159080
Specification
Trimethyl orthoacetate (CAS No.1445-45-0), it also can be called 1,1,1-Trimethoxyethane ; Orthoacetic acid, trimethyl ester ; Ethane, 1,1,1-trimethoxy- .