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| CAS No.: | 10476-95-6 |
|---|---|
| Name: | 2-METHYL-2-PROPENE-1,1-DIOL DIACETATE |
| Article Data: | 18 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H12 O4 |
| Molecular Weight: | 172.181 |
| Synonyms: | 2-Propene-1,1-diol,2-methyl-, diacetate (6CI,7CI,8CI,9CI); 2-Methyl-2-propene-1,1-diol diacetate;2-Methyl-2-propenylidene diacetate; 2-Methylallylidene diacetate;3,3-Diacetoxy-2-methyl-1-propene; 3,3-Diacetoxy-2-methylpropene; Methacroleindiacetate; NSC 46577 |
| EINECS: | 233-974-2 |
| Density: | 1.057 g/cm3 |
| Melting Point: | ?15 °C(lit.) |
| Boiling Point: | 191 °C at 760 mmHg |
| Flash Point: | 83.3 °C |
| Hazard Symbols: |
 T+
|
| Risk Codes: | 26/27/28 |
| Safety: | Poison by inhalation, skin contact and intraperitoneal routes. Moderately toxic by ingestion. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes. |
| Transport Information: | UN 2810 6 |
| PSA: | 52.60000 |
| LogP: | 1.01480 |
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| Conditions | Yield |
|---|---|
| phosphorus trichloride at 20℃; for 10h; | 88% |
| With lithium tetrafluoroborate In diethyl ether at 20℃; for 22h; | 87% |
| With boron trifluoride diethyl etherate at -10℃; for 3.3h; | 85% |
- 3664-56-0
1,3,3-trimethylcyclopropene
- 2570-63-0
thallium(III) acetate
- 10476-95-6
methallylidene diacetate
| Conditions | Yield |
|---|---|
| In dichloromethane |
| Conditions | Yield |
|---|---|
| (electrochemical oxidation); |
- 91-16-7
1,2-dimethoxybenzene
- 10476-95-6
methallylidene diacetate
- 714237-84-0
1-acetoxy-2-methyl-3-(3,4-dimethoxyphenyl)propene
| Conditions | Yield |
|---|---|
| zinc(II) chloride at 25 - 26℃; for 1.5h; Product distribution / selectivity; | 95.1% |
| boron trifluoride diethyl etherate at 18 - 23℃; for 2h; Product distribution / selectivity; | 94.4% |
| Stage #1: 1,2-dimethoxybenzene; methallylidene diacetate; boron trifluoride diethyl etherate; titanium tetrachloride at 8 - 12℃; for 1.58333h; Stage #2: With hydrogenchloride In dichloromethane; water for 0.5h; Product distribution / selectivity; | 12% |
| With boron trifluoride diethyl etherate; titanium tetrachloride at 0℃; |
- 10476-95-6
methallylidene diacetate
- 100-66-3
methoxybenzene
- 77104-98-4
1-acetoxy-2-methyl-3-(4-methoxyphenyl)propene
| Conditions | Yield |
|---|---|
| ytterbium(III) triflate at 38 - 40℃; for 3h; Product distribution / selectivity; | 94.2% |
| boron trifluoride diethyl etherate at 24 - 25℃; for 1.03333h; Product distribution / selectivity; | 93.4% |
| copper(II) bis(trifluoromethanesulfonate) at 38 - 40℃; for 3h; Product distribution / selectivity; | 92.7% |
| With titanium tetrachloride at -10℃; for 3.5h; Friedel-Crafts Alkylation; regioselective reaction; |
- 274-09-9
Methylenedioxybenzene
- 10476-95-6
methallylidene diacetate
| Conditions | Yield |
|---|---|
| ytterbium(III) chloride at 39 - 40℃; for 3h; Product distribution / selectivity; | 93.1% |
| tin(IV) chloride at 38 - 40℃; for 3h; Product distribution / selectivity; | 88.5% |
| tin(II) trifluoromethanesulfonate at 38 - 40℃; for 3h; Product distribution / selectivity; | 87.6% |
- 10476-95-6
methallylidene diacetate
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methyl 3,4-dihydro-2(2H)-naphthalenone-1-carboxylate
- 141077-82-9
1-((E)-3-Acetoxy-2-methyl-allyl)-2-oxo-1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With benzenesulfonamide; palladium diacetate; triphenylphosphine In toluene for 29h; Heating; | 86% |
- 493-09-4
benzo-1,4-dioxane
- 10476-95-6
methallylidene diacetate
| Conditions | Yield |
|---|---|
| boron trifluoride diethyl etherate at 24℃; for 2h; Product distribution / selectivity; | 78.2% |
- 10476-95-6
methallylidene diacetate
- 52506-21-5
8-oxo-1,4-dioxa-spiro[4.5]decane-7-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With 1,8-diazabicyclo[5.4.0]undec-7-ene; palladium diacetate; triphenylphosphine In 1,4-dioxane for 16h; Heating; | A 18% B 51% |
- 10476-95-6
methallylidene diacetate
- 141077-81-8
2-Carbomethoxy-4-methylenecyclohexanone
- 141077-85-2
1-((E)-3-Acetoxy-2-methyl-allyl)-5-methylene-2-oxo-cyclohexanecarboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With benzenesulfonamide; palladium diacetate; triphenylphosphine In 1,4-dioxane for 16h; Heating; | 48% |
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Chemistry
Product Name: Acetic acid-2-methyl-2-propene-1,1-diol diester (CAS NO.10476-95-6)
Molecular Formula: C8H12O4
Molecular Weight: 172.18g/mol
Mol File: 10476-95-6.mol
Einecs: 233-974-2
Melting Point: −15 °C(lit.)
Boiling point: 191 °C at 760 mmHg
Flash Point: 83.3 °C
Density: 1.039 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.424(lit.)
Surface Tension: 30.4 dyne/cm
Enthalpy of Vaporization: 42.72 kJ/mol
Vapour Pressure: 0.526 mmHg at 25°C
XLogP3-AA: 1.4
H-Bond Donor: 0
H-Bond Acceptor: 4
Toxicity Data With Reference
| 1. | orl-rat LD50:440 mg/kg | AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470. | ||
| 2. | ihl-rat LCLo:62 ppm/1H | AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470. | ||
| 3. | ipr-mus LDLo:250 mg/kg | CBCCT* “Summary Tables of Biological Tests” National Research Council Chemical-Biological Coordination Center. 5 (1953),61. | ||
| 4. | skn-rbt LD50:44 mg/kg | AIHAAP American Industrial Hygiene Association Journal. 30 (1969),470. |
Consensus Reports
Reported in EPA TSCA Inventory. EPA Extremely Hazardous Substances List.
Safety Profile
Poison by inhalation, skin contact and intraperitoneal routes. Moderately toxic by ingestion. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.
Safety Information of Acetic acid-2-methyl-2-propene-1,1-diol diester (CAS NO.10476-95-6):
Hazard Codes: T+ .gif){kind=small}
Risk Statements: 26/27/28
26: Very Toxic by inhalation
27: Very Toxic in contact with skin
28: Very Toxic if swallowed
Safety Statements: 23-26-27-36/37/39-45
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27: Take off immediately all contaminated clothing
37: Wear suitable gloves
39: Wear eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
Specification
Acetic acid-2-methyl-2-propene-1,1-diol diester ,its CAS NO. is 10476-95-6,the synonyms is 2-Methyl-2-propene-1,1-diol diacetate ; Methacrolein diacetylacetal ; 1-(Acetyloxy)-2-methyl-2-propenyl acetate ; 1-Diol,2-methyl-2-propene-diacetate ; 1-Diol,2-methyl-2-propene-diacetate[qr] ; 2-Methyl-2-propene-1,1-diol ; 2-Methyl-2-propene-1,1-dioldiacetate[qr] ; Acetic acid, 2-Methyl-2-propene-1,1-diol diester .