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| CAS No.: | 1663-39-4 |
|---|---|
| Name: | tert-Butyl acrylate |
| Article Data: | 42 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H12O2 |
| Molecular Weight: | 128.171 |
| Synonyms: | Acrylicacid, tert-butyl ester (6CI,8CI);1,1-Dimethylethyl 2-propenoate;2-Propenoicacid tert-butyl ester;NSC 20950;tert-Butyl 2-propenoate;tert-Butyl propenoate; |
| EINECS: | 216-768-7 |
| Density: | 0.883 g/cm3 |
| Melting Point: | -69 °C |
| Boiling Point: | 133 °C at 760 mmHg |
| Flash Point: | 31.6 °C |
| Solubility: | water solubility:2 g/L |
| Appearance: | colorless liquid |
| Hazard Symbols: |
 F, Xn
|
| Risk Codes: | 11-20/21/22-37/38-43-52/53 |
| Safety: | 16-25-37-61 |
| Transport Information: | UN 1993 3/PG 2 |
| PSA: | 26.30000 |
| LogP: | 1.51410 |
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| Conditions | Yield |
|---|---|
| With strong acid cation exchange resin; polymerization inhibitor A; polymerization inhibitor B at 10℃; for 13h; Temperature; | 99.7% |
| With tempol; 10H-phenothiazine; sulfuric acid | |
| With mesoporous Fe-SBA-15-SO3H at 60℃; for 12h; Autoclave; |
- 13831-03-3
tert-butyl prop-2-ynoate
- 1663-39-4
tert-Butyl acrylate
| Conditions | Yield |
|---|---|
| With hydrogen; [Cp2Mo(μ-SH)2Rh(PPh3)2][PF6] In acetone at 20℃; under 760.051 Torr; for 5h; Product distribution; Further Variations:; Catalysts; Reaction partners; | 99% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 20℃; for 0.25h; | 96% |
| Conditions | Yield |
|---|---|
| With N,N,N,N,-tetramethylethylenediamine; acetic anhydride at 0 - 60℃; for 5h; | 66% |
| With N,N,N,N,N,N-hexamethylphosphoric triamide; Bu3PI2 In diethyl ether for 24h; | 51% |
| With nickel(II) polyacrylate; water |
- 292638-85-8
acrylic acid methyl ester
- 75-65-0
tert-butyl alcohol
A
- 1663-39-4
tert-Butyl acrylate
B
- 3852-09-3
methyl 3-methoxypropionate
C
- 81048-08-0
3-tert.-Butoxypropionsaeuremethylester
D
- 112032-54-9
3-Methoxy-propionic acid tert-butyl ester
E
- 21150-74-3
tert-butyl β-tert-butoxypropionate
| Conditions | Yield |
|---|---|
| With n-butyllithium; bis(acetylacetonate)nickel(II) In benzene at 90℃; for 5h; Product distribution; other time, other temp.; | A 33% B 26% C 9% D 32% E 3% |
| Conditions | Yield |
|---|---|
| With calcium carbonate at 70℃; | |
| With pyridine | |
| With triethylamine In chloroform at 10℃; for 12h; |
| Conditions | Yield |
|---|---|
| With 2,3-Dimethylaniline at 150℃; |
- 57-57-8
β-Propiolactone
- 74-88-4
methyl iodide
A
- 1663-39-4
tert-Butyl acrylate
B
- 6149-41-3
methyl ester (3-hydroxy) propionic acid
C
- 292638-85-8
acrylic acid methyl ester
| Conditions | Yield |
|---|---|
| With 18-crown-6 ether; potassium tert-butylate 1) THF, 20 deg C, 15 min; Yield given. Multistep reaction. Yields of byproduct given; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride; tetracarbonyl nickel |
| Conditions | Yield |
|---|---|
| With sulfuric acid |
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Specification
The tert-Butyl acrylate, with the CAS registry number 1663-39-4, is also known as Acrylic acid, tert-butyl ester. It belongs to the product categories of Categories: Medical Intermediates; A-BAlphabetic; Alpha Sort; B; BI - BZAnalytical Standards; Chemical Class; Esters Gasoline, Diesel,& Petroleum; Olefins; Substance Classes; Volatiles/ Semivolatiles; Carbonyl Compounds; Acrylate Carbonyl Compounds; Acrylic Monomers; C6 to C7; Esters; Monomers. Its EINECS registry number is 216-768-7. This chemical's molecular formula is C7H12O2 and molecular weight is 128.17. Its IUPAC name is called tert-butyl prop-2-enoate.
Physical properties of tert-Butyl acrylate: (1)ACD/LogP: 2.02; (2)ACD/LogD (pH 5.5): 2.02; (3)ACD/LogD (pH 7.4): 2.02; (4)ACD/BCF (pH 5.5): 20.25; (5)ACD/BCF (pH 7.4): 20.25; (6)ACD/KOC (pH 5.5): 299.74; (7)ACD/KOC (pH 7.4): 299.74; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.417; (11)Molar Refractivity: 35.94 cm3; (12)Molar Volume: 142.7 cm3; (13)Surface Tension: 25.1 dyne/cm; (14)Density: 0.898 g/cm3; (15)Flash Point: 31.6 °C; (16)Enthalpy of Vaporization: 37.05 kJ/mol; (17)Boiling Point: 133 °C at 760 mmHg; (18)Vapour Pressure: 8.64 mmHg at 25°C.
Preparation of tert-Butyl acrylate: this chemical can be prepared by acrylic acid and 2-methyl-propan-2-ol. This reaction will need reagents nickel (II)-acrylate and water.
Uses of tert-Butyl acrylate: it can be used to produce 3-(3-methyl-but-3-enyloxy)-propionic acid tert-butyl ester at temperature of 50 °C. This reaction will need reagent Triton B with reaction time of 2.5 hours. The yield is about 91%.
This chemical has so many characteristics: hydrolysis stabilizers, light inert, high Tg, globular polymer chain structure, hydrophilic and so on. In addition, it can be used in coating surface varnish, vehicle repair light, high polymer paper conditioner, nursing polymer products, carbonyl reforming polyolefin. Meanwhile, tert-Butyl acrylate is also an important raw material in organic synthetic.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable and harmful. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to respiratory system and skin. You should keep it away from sources of ignition - No smoking. What's more, you must avoid contact with eyes. Whenever you will contact it, please wear suitable gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)C=C
(2)InChI: InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3
(3)InChIKey: ISXSCDLOGDJUNJ-UHFFFAOYSA-N