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| CAS No.: | 638-10-8 |
|---|---|
| Name: | Ethyl 3,3-dimethylacrylate |
| Article Data: | 82 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H12O2 |
| Molecular Weight: | 128.171 |
| Synonyms: | Senecioic acid, ethyl ester (6CI);3-Methyl-2-butenoic acid ethyl ester;Ethyl 3,3-dimethylacrylate;Ethyl3-methyl-2-butenoate;Ethyl 3-methylcrotonate;Ethyl dimethylacrylate;Ethylisobutenoate;Ethyl isopropylideneacetate;Ethyl senecioate;Ethyl b,b-dimethylacrylate;Ethyl b-methylcrotonate;NSC 61853;NSC 99208;Crotonicacid, 3-methyl-, ethyl ester (7CI,8CI); |
| EINECS: | 211-319-1 |
| Density: | 0.909 g/cm3 |
| Melting Point: | -62.68°C (estimate) |
| Boiling Point: | 153.499 °C at 760 mmHg |
| Flash Point: | 46.278 °C |
| Solubility: | Insoluble in water |
| Appearance: | liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 10-36/37/38 |
| Safety: | 16-29-33-28-26 |
| Transport Information: | UN 3272 |
| PSA: | 26.30000 |
| LogP: | 1.51570 |
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| Conditions | Yield |
|---|---|
| Stage #1: diethoxyphosphoryl-acetic acid ethyl ester With sodium hydride In tetrahydrofuran at 0℃; for 0.25h; Horner-Wadsworth-Emmons olefination; Inert atmosphere; Stage #2: acetone In tetrahydrofuran at 0 - 20℃; Horner-Wadsworth-Emmons olefination; Inert atmosphere; | 90% |
| With n-butyllithium In tetrahydrofuran; hexane at -50 - 20℃; | 89% |
| With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; Inert atmosphere; | 88% |
| Conditions | Yield |
|---|---|
| toluene-4-sulfonic acid In tetrachloromethane for 24h; Heating; | 88.8% |
| With sulfuric acid for 16h; Reflux; | 87% |
| With sulfuric acid for 10h; Heating; | 72% |
- 1458-98-6
2-methyl-3-bromo-1-propene
- 201230-82-2
carbon monoxide
- 141-52-6
sodium ethanolate
- 638-10-8
ethyl 3-methylbut-2-enoate
| Conditions | Yield |
|---|---|
| Na2PdCl4-dppe In ethanol at 50℃; for 2h; | 87% |
- 20411-76-1
4-ethoxy-2-methylbut-3-yn-2-ol
- 638-10-8
ethyl 3-methylbut-2-enoate
| Conditions | Yield |
|---|---|
| With boron trifluoride diethyl etherate at -30℃; for 0.12h; | 78% |
| With sulfuric acid | |
| With hydrogen cation |
| Conditions | Yield |
|---|---|
| at 35℃; under 6750540 Torr; for 24h; | 75% |
| at 35℃; under 6750540 Torr; for 24h; Product distribution; Wittig reaction at high presure; | |
| With benzoic acid |
| Conditions | Yield |
|---|---|
| With tributylstibine at 130℃; for 6h; | 10% |
- 766-09-6
1-ethyl-piperidine
- 110-86-1
pyridine
- 85738-78-9
monoethyl isopropylidenemalonate
A
- 638-10-8
ethyl 3-methylbut-2-enoate
B
- 1617-19-2
3-methyl-but-3-enoic acid ethyl ester
| Conditions | Yield |
|---|---|
| at 111℃; Rate constant; Decarboxylation; |
- 110-86-1
pyridine
- 85738-78-9
monoethyl isopropylidenemalonate
- 1152-90-5
pyridinium picrate
A
- 638-10-8
ethyl 3-methylbut-2-enoate
B
- 1617-19-2
3-methyl-but-3-enoic acid ethyl ester
| Conditions | Yield |
|---|---|
| at 111℃; Rate constant; Decarboxylation; |
- 110-86-1
pyridine
- 85738-78-9
monoethyl isopropylidenemalonate
A
- 638-10-8
ethyl 3-methylbut-2-enoate
B
- 1617-19-2
3-methyl-but-3-enoic acid ethyl ester
| Conditions | Yield |
|---|---|
| at 111℃; Rate constant; Decarboxylation; |
- 623-73-4
diazoacetic acid ethyl ester
- 598-26-5
dimethylketene
A
- 98558-46-4
5-ethoxy-3,3-dimethyl-3H-furan-2-one
B
- 638-10-8
ethyl 3-methylbut-2-enoate
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Chemistry
The Molecular formula of 3-METHYLCROTONIC ACID, ETHYL ESTER (638-10-8):C7H12O2
The Molecular Weight of 3-METHYLCROTONIC ACID, ETHYL ESTER (638-10-8):128.17
The Molecular Structure of 3-METHYLCROTONIC ACID, ETHYL ESTER (638-10-8) is:.gif){kind=small}
Density:0.909 g/cm3
Boiling point:153.5 °C at 760 mmHg
Flash point:46.3 °C
Index of Refraction:1.426
Molar Refractivity:140.9 cm3
Molar Volume:140.9 cm3
Polarizability:14.33 10-24cm3
Surface Tension:26.1 dyne/cm
Enthalpy of Vaporization:39.03 kJ/mol
Vapour Pressure: 3.32 mmHg at 25°C
Appearance:colorless liquid
IUPAC Name: ethyl 3-methylbut-2-enoate
Synonyms: 3-METHYL-2-BUTENOIC ACID ETHYL ESTER ; 3-METHYLCROTONIC ACID ETHYL ESTER ; ETHYL-SENECIOATE ; ETHYL 3-METHYL-2-BUTENOATE ; ETHYL 3-METHYLCROTONATE ; ETHYL 3,3-DIMETHYLACRYLATE ; ETHYL-BETA,BETA-DIMETHYL ACRYLATE ; 3,3-DIMETHYLACRYLIC ACID ETHYL ESTER
Toxicity Data With Reference
| 1. | orl-rat LD50:11,600 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 29 (4)(1985),52. | ||
| 2. | orl-mus LD50:2450 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 29 (4)(1985),52. | ||
| 3. | orl-gpg LD50:500 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 29 (4)(1985),52. |
Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes:Xi :Irritant.gif){kind=small}
Risk Statements
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements
S16:Keep away from sources of ignition - No smoking .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR:UN 3272 3/PG 3
WGK Germany:2
RTECS:GQ5750000
HazardClass:3.2
PackingGroup:III