Product Name

  • Name

    2-METHYL-2-PROPENE-1,1-DIOL DIACETATE

  • EINECS 233-974-2
  • CAS No. 10476-95-6
  • Article Data18
  • CAS DataBase
  • Density 1.057 g/cm3
  • Solubility
  • Melting Point ?15 °C(lit.)
  • Formula C8H12 O4
  • Boiling Point 191 °C at 760 mmHg
  • Molecular Weight 172.181
  • Flash Point 83.3 °C
  • Transport Information UN 2810 6
  • Appearance
  • 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.
  • Risk Codes 26/27/28
  • Molecular Structure Molecular Structure of 10476-95-6 (2-METHYL-2-PROPENE-1,1-DIOL DIACETATE)
  • Hazard Symbols VeryT+
  • 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
  • PSA 52.60000
  • LogP 1.01480

Synthetic route

2-methylpropenal
78-85-3

2-methylpropenal

acetic anhydride
108-24-7

acetic anhydride

methallylidene diacetate
10476-95-6

methallylidene diacetate

Conditions
ConditionsYield
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%
1,3,3-trimethylcyclopropene
3664-56-0

1,3,3-trimethylcyclopropene

thallium(III) acetate
2570-63-0

thallium(III) acetate

methallylidene diacetate
10476-95-6

methallylidene diacetate

Conditions
ConditionsYield
In dichloromethane
acetic acid
64-19-7

acetic acid

1-acetyloxy-2-methylpropene
14478-14-9

1-acetyloxy-2-methylpropene

methallylidene diacetate
10476-95-6

methallylidene diacetate

Conditions
ConditionsYield
(electrochemical oxidation);
1,2-dimethoxybenzene
91-16-7

1,2-dimethoxybenzene

methallylidene diacetate
10476-95-6

methallylidene diacetate

1-acetoxy-2-methyl-3-(3,4-dimethoxyphenyl)propene
714237-84-0

1-acetoxy-2-methyl-3-(3,4-dimethoxyphenyl)propene

Conditions
ConditionsYield
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℃;
methallylidene diacetate
10476-95-6

methallylidene diacetate

methoxybenzene
100-66-3

methoxybenzene

1-acetoxy-2-methyl-3-(4-methoxyphenyl)propene
77104-98-4

1-acetoxy-2-methyl-3-(4-methoxyphenyl)propene

Conditions
ConditionsYield
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;
Methylenedioxybenzene
274-09-9

Methylenedioxybenzene

methallylidene diacetate
10476-95-6

methallylidene diacetate

(1E/Z)-acetic acid 3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl ester

(1E/Z)-acetic acid 3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl ester

Conditions
ConditionsYield
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%
methallylidene diacetate
10476-95-6

methallylidene diacetate

methyl 3,4-dihydro-2(2H)-naphthalenone-1-carboxylate
31202-23-0

methyl 3,4-dihydro-2(2H)-naphthalenone-1-carboxylate

1-((E)-3-Acetoxy-2-methyl-allyl)-2-oxo-1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid methyl ester
141077-82-9

1-((E)-3-Acetoxy-2-methyl-allyl)-2-oxo-1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid methyl ester

Conditions
ConditionsYield
With benzenesulfonamide; palladium diacetate; triphenylphosphine In toluene for 29h; Heating;86%
benzo-1,4-dioxane
493-09-4

benzo-1,4-dioxane

methallylidene diacetate
10476-95-6

methallylidene diacetate

1-acetoxy-2-methyl-3-(3,4-ethylenedioxyphenyl)propene

1-acetoxy-2-methyl-3-(3,4-ethylenedioxyphenyl)propene

Conditions
ConditionsYield
boron trifluoride diethyl etherate at 24℃; for 2h; Product distribution / selectivity;78.2%
methallylidene diacetate
10476-95-6

methallylidene diacetate

8-oxo-1,4-dioxa-spiro[4.5]decane-7-carboxylic acid methyl ester
52506-21-5

8-oxo-1,4-dioxa-spiro[4.5]decane-7-carboxylic acid methyl ester

A

C14H20O6

C14H20O6

B

C16H22O7

C16H22O7

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene; palladium diacetate; triphenylphosphine In 1,4-dioxane for 16h; Heating;A 18%
B 51%
...Expand
methallylidene diacetate
10476-95-6

methallylidene diacetate

2-Carbomethoxy-4-methylenecyclohexanone
141077-81-8

2-Carbomethoxy-4-methylenecyclohexanone

1-((E)-3-Acetoxy-2-methyl-allyl)-5-methylene-2-oxo-cyclohexanecarboxylic acid methyl ester
141077-85-2

1-((E)-3-Acetoxy-2-methyl-allyl)-5-methylene-2-oxo-cyclohexanecarboxylic acid methyl ester

Conditions
ConditionsYield
With benzenesulfonamide; palladium diacetate; triphenylphosphine In 1,4-dioxane for 16h; Heating;48%
methallylidene diacetate
10476-95-6

methallylidene diacetate

4-chloro-aniline
106-47-8

4-chloro-aniline

6-chloro-3-methylquinoline
97041-62-8

6-chloro-3-methylquinoline

Conditions
ConditionsYield
With hydrogenchloride In 1,4-dioxane; water at 100 - 120℃; for 7.5h;47%
With sulfuric acid; orthoarsenic acid
syn-benzaldehyde oxime
932-90-1, 622-31-1, 140461-24-1, 140461-25-2, 622-32-2

syn-benzaldehyde oxime

methallylidene diacetate
10476-95-6

methallylidene diacetate

acetic acid acetoxy-(5-methyl-3-phenyl-4,5-dihydroisoxazol-5-yl)methyl ester

acetic acid acetoxy-(5-methyl-3-phenyl-4,5-dihydroisoxazol-5-yl)methyl ester

Conditions
ConditionsYield
Stage #1: syn-benzaldehyde oxime With N-hydroxyiminoyl chloride In dichloromethane; N,N-dimethyl-formamide at 20℃; for 1h;
Stage #2: methallylidene diacetate With triethylamine In dichloromethane; N,N-dimethyl-formamide at 20℃; for 39h;		35%
8-amino quinoline
578-66-5

8-amino quinoline

methallylidene diacetate
10476-95-6

methallylidene diacetate

3-methyl-1,10-phenanthroline
17044-07-4

3-methyl-1,10-phenanthroline

Conditions
ConditionsYield
With arsenic(V) oxide; sulfuric acid at 100 - 140℃;
6-methyl-8-aminoquinoline
68420-93-9

6-methyl-8-aminoquinoline

methallylidene diacetate
10476-95-6

methallylidene diacetate

3,5-dimethyl-[1,10]phenanthroline

3,5-dimethyl-[1,10]phenanthroline

Conditions
ConditionsYield
With arsenic(V) oxide; sulfuric acid
3-methyl-[8]quinolylamine
3393-71-3

3-methyl-[8]quinolylamine

methallylidene diacetate
10476-95-6

methallylidene diacetate

2,9-dimethyl-1,10-phenanthroline
3002-80-0

2,9-dimethyl-1,10-phenanthroline

Conditions
ConditionsYield
With arsenic(V) oxide; sulfuric acid
4-methyl-8-aminoquinoline
62748-01-0

4-methyl-8-aminoquinoline

methallylidene diacetate
10476-95-6

methallylidene diacetate

3,7-dimethyl-[1,10]phenanthroline
107919-97-1

3,7-dimethyl-[1,10]phenanthroline

Conditions
ConditionsYield
With arsenic(V) oxide; sulfuric acid
8-amino-6-chloroquinoline
5470-75-7

8-amino-6-chloroquinoline

methallylidene diacetate
10476-95-6

methallylidene diacetate

5-chloro-3-methyl-[1,10]phenanthroline

5-chloro-3-methyl-[1,10]phenanthroline

Conditions
ConditionsYield
With sulfuric acid; orthoarsenic acid at 100 - 140℃;
3,4-dimethyl-[8]quinolylamine
3393-72-4

3,4-dimethyl-[8]quinolylamine

methallylidene diacetate
10476-95-6

methallylidene diacetate

3,4,8-trimethyl-[1,10]phenanthroline
3248-06-4

3,4,8-trimethyl-[1,10]phenanthroline

Conditions
ConditionsYield
With arsenic(V) oxide; sulfuric acid
3,5,6-trimethyl-[8]quinolylamine
3376-14-5

3,5,6-trimethyl-[8]quinolylamine

methallylidene diacetate
10476-95-6

methallylidene diacetate

3,5,6,8-tetramethyl-1,10-phenanthroline
2747-15-1

3,5,6,8-tetramethyl-1,10-phenanthroline

Conditions
ConditionsYield
With arsenic(V) oxide; sulfuric acid at 100 - 140℃;
3,4,6-trimethyl-[8]quinolylamine
860194-22-5

3,4,6-trimethyl-[8]quinolylamine

methallylidene diacetate
10476-95-6

methallylidene diacetate

3,4,6,8-tetramethyl-[1,10]phenanthroline

3,4,6,8-tetramethyl-[1,10]phenanthroline

Conditions
ConditionsYield
With arsenic(V) oxide; sulfuric acid at 100 - 140℃;

ACETIC ACID-2-METHYL-2-PROPENE-1,1-DIOL DIESTER Chemical Properties

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

ACETIC ACID-2-METHYL-2-PROPENE-1,1-DIOL DIESTER 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.

ACETIC ACID-2-METHYL-2-PROPENE-1,1-DIOL DIESTER Consensus Reports

Reported in EPA TSCA Inventory. EPA Extremely Hazardous Substances List.

ACETIC ACID-2-METHYL-2-PROPENE-1,1-DIOL DIESTER 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+
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)

ACETIC ACID-2-METHYL-2-PROPENE-1,1-DIOL DIESTER 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  .

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