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| CAS No.: | 96-05-9 |
|---|---|
| Name: | Allyl methacrylate |
| Molecular Structure: | |
|
|
|
| Formula: | C7H10O2 |
| Molecular Weight: | 126.155 |
| Synonyms: | 2-Propenoicacid, 2-methyl-, 2-propenyl ester (9CI);Methacrylic acid, allyl ester(6CI,8CI);Allyl alcohol, methacrylate (6CI);2-Methyl-2-propenoic acid 2-propenyl ester;Acryester A;NSC 18597;2-Propenoic acid,2-methyl-, 2-propen-1-yl ester; |
| EINECS: | 202-473-0 |
| Density: | 0.917 g/cm3 |
| Melting Point: | -65 °C |
| Boiling Point: | 138.588 °C at 760 mmHg |
| Flash Point: | 33.889 °C |
| Solubility: | Soluble in most organic solvents, hardly soluble in water |
| Appearance: | clear liquid |
| Hazard Symbols: |
 T, N
|
| Risk Codes: | 10-21/22-23-50 |
| Safety: | 36/37-45-61 |
| Transport Information: | UN 2929 6.1/PG 2 |
| PSA: | 26.30000 |
| LogP: | 1.29170 |
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- 97484-76-91-(prop-2-ynyl)-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione
- 97484-75-81-allyl-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione
- 98025-62-8(5-METHYL-[1,3,4]THIADIAZOL-2-YL)-HYDRAZINE
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| Conditions | Yield |
|---|---|
| With [Ir(1,5-cyclooctadiene)2]PF6 In toluene at 100℃; for 5h; | 92% |
| Conditions | Yield |
|---|---|
| With Silphos; iodine In N,N-dimethyl-formamide at 20℃; for 3h; | 90% |
| With zirconium(IV) chloride; sodium iodide In acetonitrile for 0.0166667h; Heating; | 88% |
| With bis(cyclopentadienyl)titanium dichloride; magnesium In tetrahydrofuran for 12h; Ambient temperature; | 87% |
- 1393670-68-2
allyl 2-((tert-butyl(1-(diethoxyphosphoryl)-2,2-dimethylpropyl)amino)oxy)-2-methylpropanoate
A
- 96-05-9
allyl methacrylate
B
- 1393670-72-8
diethyl (1-(tert-butyl((4,4-dimethyl-5-oxotetrahydrofuran-3-yl)methoxy)amino)-2,2-dimethylpropyl)phosphonate
| Conditions | Yield |
|---|---|
| In tert-butyl alcohol at 120℃; for 2h; Sealed tube; | A n/a B 50% |
| Conditions | Yield |
|---|---|
| Stage #1: 2,3-Epoxypropyl methacrylate With N-chloro-succinimide; triphenylphosphine In acetonitrile at 20℃; Stage #2: With N-iodo-succinimide; triphenylphosphine In acetonitrile for 10h; Heating; | A 44% B n/a |
- 874487-06-6
α-allyloxy-isobutyric acid allyl ester
- 96-05-9
allyl methacrylate
| Conditions | Yield |
|---|---|
| at 60℃; mit Oxalsaeure, ZnCl2 oder besser P2O5; |
- 408318-09-2
α-acetoxy-isobutyric acid allyl ester
- 96-05-9
allyl methacrylate
| Conditions | Yield |
|---|---|
| at 475℃; Pyrolysis; |
| Conditions | Yield |
|---|---|
| at 475℃; Kontaktzeit ca.4.7 sec.Pyrolysis; |
| Conditions | Yield |
|---|---|
| With sulfuric acid | |
| With toluene-4-sulfonic acid In toluene Heating; | |
| With dmap; dicyclohexyl-carbodiimide In dichloromethane Inert atmosphere; |
- 17859-93-7
2-allyloxy-2-methylpropanoic acid
- 107-18-6
allyl alcohol
A
- 96-05-9
allyl methacrylate
B
- 874487-06-6
α-allyloxy-isobutyric acid allyl ester
| Conditions | Yield |
|---|---|
| With sulfuric acid; tannic acid |
| Conditions | Yield |
|---|---|
| With sodium methylate; 2-hydroxyresorcinol | |
| With oxygen; 4-methoxy-phenol; hydroquinone; zirconium(IV) acetylacetonate at 70 - 117℃; Product distribution / selectivity; Reflux; |
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- 145-42-6Ethanesulfonic acid, 2-[[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-,monosodium salt
- 495-76-1Piperonyl alcohol
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- 141-53-7Sodium formate
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- 10161-34-9Trenbolone acetate
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- Total:17 Page 1 of 1 1
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EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Specification
Allyl methacrylate is an organic compound with the formula C7H10O2, and its systematic name is the same with the product name. With the CAS registry number 96-05-9, it is also named as 2-Propenoic acid,2-methyl-, 2-propen-1-yl ester. It belongs to the product categories of Acrylic Monomers; C6 to C7 Monomers; Carbonyl Compounds; Esters; Methacrylate; Ester series. Its EINECS number is 202-473-0. In addition, the molecular weight is 126.15. Its classification code is Skin / Eye Irritant. This chemical should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from oxides, heat and fire. This chemical is widely used as comonomer and grafting monomer in producing organic glass, and it is also used as cross-linking agent in tooth repairing.
Physical properties of Allyl methacrylate are: (1)ACD/LogP: 1.567; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.14; (6)ACD/BCF (pH 7.4): 9.14; (7)ACD/KOC (pH 5.5): 169.59; (8)ACD/KOC (pH 7.4): 169.59; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 35.547 cm3; (15)Molar Volume: 137.553 cm3; (16)Polarizability: 14.092×10-24cm3; (17)Surface Tension: 25.65 dyne/cm; (18)Density: 0.917 g/cm3; (19)Flash Point: 33.889 °C; (20)Enthalpy of Vaporization: 37.588 kJ/mol; (21)Boiling Point: 138.588 °C at 760 mmHg; (22)Vapour Pressure: 6.68 mmHg at 25°C.
Preparation of Allyl methacrylate: this chemical can be prepared by 2-methyl-acrylic acid oxiranylmethyl ester at the ambient temperature. This reaction will need reagents Mg, Cp2TiCl2 and solvent tetrahydrofuran with the reaction time of 12 hours. The yield is about 87%.
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Uses of Allyl methacrylate: it can be used to produce 3-(chlorodimethylsilyl)propyl methacrylate at the temperature of 80 °C. It will need reagents 0.05 N H2PtCl6, phenothiazine and solvent tetrahydrofuran with the reaction time of 30 min. The yield is about 72%.
When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful in contact with skin and if swallowed. It is toxic by inhalation and very toxic to aquatic organisms. When using it, you need to wear suitable protective clothing and gloves. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible). You should avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC\C=C)\C(=C)C
(2)Std. InChI: InChI=1S/C7H10O2/c1-4-5-9-7(8)6(2)3/h4H,1-2,5H2,3H3
(3)Std. InChIKey: FBCQUCJYYPMKRO-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 5500mg/m3 (5500mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 34(8), Pg. 59, 1990. | |
| mouse | LD50 | oral | 57mg/kg (57mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 34(8), Pg. 59, 1990. | |
| mouse | LD50 | parenteral | 57mg/kg (57mg/kg) | National Technical Information Service. Vol. OTS0559078, | |
| rabbit | LD50 | skin | 500uL/kg (.5mL/kg) | American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. | |
| rat | LC50 | inhalation | 1800mg/m3 (1800mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 34(8), Pg. 59, 1990. | |
| rat | LD50 | oral | 70mg/kg (70mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 34(8), Pg. 59, 1990. | |
| rat | LD50 | parenteral | 70mg/kg (70mg/kg) | National Technical Information Service. Vol. OTS0559078, |