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| CAS No.: | 5394-63-8 |
|---|---|
| Name: | 2,2,6-Trimethyl-4H-1,3-dioxin-4-one |
| Article Data: | 17 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H10O3 |
| Molecular Weight: | 142.155 |
| Synonyms: | Crotonicacid, 3-(1-hydroxy-1-methylethoxy)-, d-lactone (6CI,7CI);m-Dioxin-4-one, 2,2,6-trimethyl-(8CI);2,2,6-Trimethyl-1,3-dioxin-4-one;2,2,6-Trimethyl-4H-1,3-dioxin-4-one;NSC 2391; |
| EINECS: | 226-403-3 |
| Density: | 1.055 g/cm3 |
| Melting Point: | 12-13 °C(lit.) |
| Boiling Point: | 219.5 °C at 760 mmHg |
| Flash Point: | 87 °C |
| Solubility: | practically insoluble in water |
| Appearance: | Dark brown liquid |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26-27-36/37/39-9-33 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 35.53000 |
| LogP: | 1.19970 |
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| Conditions | Yield |
|---|---|
| With sulfuric acid; acetic anhydride In acetone at 0 - 20℃; for 5h; | 100% |
| Conditions | Yield |
|---|---|
| With sulfuric acid; acetic anhydride at 0 - 20℃; for 5h; | 98% |
| Conditions | Yield |
|---|---|
| With Aliquat 336 In toluene at 70℃; for 6h; | 95% |
| toluene-4-sulfonic acid |
| Conditions | Yield |
|---|---|
| 83% |
- 85920-63-4
5-(1-hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- 5394-63-8
2,2,6-trimethyl-4H-1,3-dioxin-4-one
| Conditions | Yield |
|---|---|
| In acetone; toluene at 111℃; for 2h; | 80% |
- 674-82-8
4-methyleneoxetan-2-one
- 104-15-4
toluene-4-sulfonic acid
- 67-64-1
acetone
- 5394-63-8
2,2,6-trimethyl-4H-1,3-dioxin-4-one
| Conditions | Yield |
|---|---|
| With pyridine; acetone; zinc(II) sulfate | |
| With toluene-4-sulfonic acid; acetone |
| Conditions | Yield |
|---|---|
| With diethyl ether; acetone; zinc(II) chloride |
- 93304-66-6
isopropenyl acetoacetate
- 5394-63-8
2,2,6-trimethyl-4H-1,3-dioxin-4-one
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In (2)H8-toluene at 70 - 90℃; for 1h; | |
| With acetone In xylene at 91.7℃; for 1h; | 100 % Chromat. |
- 93304-66-6
isopropenyl acetoacetate
A
- 1004-36-0
2,6-dimethylpyrone
B
- 771-03-9
3-acetyl-4-hydroxy-6-methyl-2H-pyran-2-one
C
- 5394-63-8
2,2,6-trimethyl-4H-1,3-dioxin-4-one
D
- 4412-03-7
4-methyl-1,5-dioxaspiro[5.5]undec-3-en-2-one
E
- 626-53-9
1,3-diacetyl acetone
| Conditions | Yield |
|---|---|
| In xylene at 91.7℃; for 0.75h; Product distribution; | A n/a B n/a C 15 % Chromat. D 14 % Chromat. E n/a |
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Chemistry
IUPAC Name: 2,2,6-trimethyl-1,3-dioxin-4-one
Synonyms of 4H-1,3-Dioxin-4-one,2,2,6-trimethyl- (CAS NO.5394-63-8): EINECS 226-403-3 ; 2,2,6-Trimethyl-4H-1,3-dioxin-4-one
Empirical Formula: C7H10O3
Molecular Weight: 142.1525g/mol
EINECS: 226-403-3
Structure of 4H-1,3-Dioxin-4-one,2,2,6-trimethyl- (CAS NO.5394-63-8):
Index of Refraction: 1.438
Molar Refractivity: 35.41 cm3
Molar Volume: 134.7 cm3
Polarizability: 14.04×10-24cm3
Surface Tension: 26.8 dyne/cm
Density: 1.055 g/cm3
Flash Point: 87 °C
Enthalpy of Vaporization: 45.59 kJ/mol
Melting point: 12-13 ºC
Boiling Point: 219.5 °C at 760 mmHg
Vapour Pressure: 0.119 mmHg at 25°C
Canonical SMILES: CC1=CC(=O)OC(O1)(C)C
InChI: InChI=1S/C7H10O3/c1-5-4-6(8)10-7(2,3)9-5/h4H,1-3H3
InChIKey: XFRBXZCBOYNMJP-UHFFFAOYSA-N
Safety Profile
Hazard Symbols: 
F;
Xi
Risk Codes: R11;R36
R11:Highly flammable.
R36:Irritating to eyes.
Safety Description: S16;S26;S33;S9
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S33:Take precautionary measures against static discharges.
S9:Keep container in a well-ventilated place.
Transport Information: UN 1993
Specification
4H-1,3-Dioxin-4-one,2,2,6-trimethyl- , its cas register number is 5394-63-8. It also can be called 2,2,6-Trimethyl-4H-1,3-dioxin-4-one . 4H-1,3-Dioxin-4-one,2,2,6-trimethyl- (CAS NO.5394-63-8) is highly flammable and irritating to eyes.