CAS No.77-76-9,2,2-Dimethoxypropane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	77-76-9
Name:	2,2-Dimethoxypropane
Article Data:	66
Cas Database

Formula:	C₅H₁₂O₂
Molecular Weight:	104.149
Synonyms:	Acetone,dimethyl acetal (6CI,8CI);2,2-Bis(methyloxy)propane;Acetone dimethyl ketal;NSC 62085;
EINECS:	201-056-0
Density:	0.84 g/cm³
Melting Point:	-47 °C
Boiling Point:	83 °C at 760 mmHg
Flash Point:	-5oC
Solubility:	18 g/100 mL (25 °C)
Appearance:	clear liquid
Hazard Symbols:	F,Xi
Risk Codes:	11-36-36/37/38
Safety:	26-9-37/39-33-16-33,37/39
Transport Information:	UN 1993 3/PG 2
PSA:	18.46000
LogP:	1.01530

Synthetic route

: 67-56-1
methanol

: 5447-97-2
2-bromo-2-nitropropane

: 124-41-4
sodium methylate

: 77-76-9
2,2-dimethoxy-propane

Conditions

Conditions	Yield
at 40℃; for 5h; Irradiation;	96%
at 40℃; for 5h; Product distribution; Irradiation; further primary alcohols;	96%

...Expand

: 67-64-1
acetone

: 77-76-9
2,2-dimethoxy-propane

Conditions

Conditions	Yield
With dihydrogen peroxide In water; acetonitrile at 20℃; for 0.25h; Green chemistry;	95%

: 58-56-0
pyridoxal hydrochloride

A: 948-00-5
1,5-dihydro-3,3,8-trimethyl<1,3>dioxepino<5,6-y>pyridin-9-ol

B: 77-76-9
2,2-dimethoxy-propane

Conditions

Conditions	Yield
With sulfuric acid In dichloromethane for 6h; Heating; Title compound not separated from byproducts;	A n/a B 92%

: 1193-11-9, 116944-25-3
2,2,4-trimethyl-1,3-dioxolane

: 67-56-1
methanol

: 77-76-9
2,2-dimethoxy-propane

Conditions

Conditions	Yield
With aluminum (III) chloride at 70℃; for 5.6h; Temperature;	91%

: 542-92-7
cyclopenta-1,3-diene

: 123-73-9
crotonaldehyde

A: 153380-53-1
(1R,2R,3S,4S)-3-methylbicyclo[2.2.1]hept-5-en-2-carboxaldehyde

B: C9H12O

C: 249730-06-1
(1S,2S,3R,4R)-3-methylbicyclo[2.2.1]hept-5-ene-2-carboxaldehyde

D: 77-76-9
2,2-dimethoxy-propane

Conditions

Conditions	Yield
With 3-(5-(2-(4-benzyl-2,2-dimethyl-5-oxoimidazolidin-1-yl)ethoxy)-5-oxopentyl)-1-methyl-1H-imidazol-3-ium bromide; trifluoroacetic acid In methanol at 20℃; Catalytic behavior; Solvent; Reagent/catalyst; Diels-Alder Cycloaddition;	A n/a B n/a C n/a D 88%

...Expand

: 67-56-1
methanol

: 595-49-3
2,2-dinitropropane

: 124-41-4
sodium methylate

: 77-76-9
2,2-dimethoxy-propane

Conditions

Conditions	Yield
at 40℃; for 12h; Irradiation;	84%
at 40℃; for 12h; Product distribution; Irradiation; further primary alcohols;	84%

...Expand

: 67-56-1
methanol

: 41774-06-5
α-nitroisopropyl phenyl sulfone

: 124-41-4
sodium methylate

: 77-76-9
2,2-dimethoxy-propane

Conditions

Conditions	Yield
at 40℃; for 5h; Irradiation;	82%
at 40℃; for 5h; Product distribution; Irradiation; further primary alcohols;	82%

...Expand

: 67-56-1
methanol

: 5-t-Butylperoxycyclo-octene

A: 507-19-7
t-butyl bromide

: 32654-19-6, 89071-84-1, 92617-21-5
trans-2-bromo-9-oxabicyclo<4.2.1>nonane

: 32654-27-6, 89071-85-2, 92617-22-6
trans-2-bromo-9-oxabicyclo<3.3.1>nonane

D: 77-76-9
2,2-dimethoxy-propane

Conditions

Conditions	Yield
With N-Bromosuccinimide for 0.75h; Product distribution; Mechanism; further in CD3OD;	A 1.5% B n/a C n/a D 74%

...Expand

: 67-56-1
methanol

: 85620-94-6, 107494-71-3
2-azido-2-nitropropane

: 124-41-4
sodium methylate

: 77-76-9
2,2-dimethoxy-propane

Conditions

Conditions	Yield
at 40℃; for 24h; Irradiation;	74%
at 40℃; for 24h; Product distribution; Irradiation; further primary alcohols;	74%

...Expand

: 90593-00-3
methyl 5-deoxy-5-C-(diethoxyphosphinyl)-2,3-O-isopropylidene-β-D-ribofuranoside

A: 77-76-9
2,2-dimethoxy-propane

B: 194412-32-3
methyl 5-deoxy-5-C-diethoxyphosphinyl-β-D-ribofuranoside

Conditions

Conditions	Yield
With methanol; iodine for 4.5h;	A n/a B 73%

Raw Materials

865-33-8

67-64-1

5447-97-2

74-99-7

681-84-5

29328-23-2

67-56-1

116-11-0

Downstream Products

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Specification

1. Introduction of 2,2-Dimethoxypropane
2,2-Dimethoxypropane, is an organic compound and an alkylating reagent. Dimethoxypropane is an intermediate for the synthesis of 2-methoxypropene.

2. Properties of 2,2-Dimethoxypropane
Melting Point: -47 °C
Boiling point: 83 °C at 760 mmHg
Storage Temperature: Flammables area
Density: 0.84 g/cm³
Refractive index: n20/D 1.378(lit.)
Water Solubility: 18 g/100 mL (25 °C)
Stability: Stable. Highly flammable - note low flash point. Vapour may form an explosive mixture with air. May form explosive peroxides when exposed to air. Incompatible with strong oxidizing agents.
Index of Refraction: 1.379
Molar Refractivity: 28.66 cm³
Molar Volume: 123.8 cm³
Surface Tension: 21.1 dyne/cm
Enthalpy of Vaporization: 31.01 kJ/mol
Vapour Pressure: 85.6 mmHg at 25°C
XLogP3-AA: 0.6
H-Bond Donor: 0
H-Bond Acceptor: 2

3. Structure Descriptors of 2,2-Dimethoxypropane
Canonical SMILES: CC(C)(OC)OC
InChI: InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3
InChIKey: HEWZVZIVELJPQZ-UHFFFAOYSA-N

4. Safety Information of 2,2-Dimethoxypropane
A very dangerous fire hazard when exposed to heat, flame or oxidizers. When heated to 210°C it burns with a cool flame and then explodes. Explosive reaction with metal perchlorates (e.g., manganese(II) perchlorate; nickel(II) perchlorate) above 65°C. When heated to decomposition it emits acrid smoke and fumes.
Hazard Codes F,Xi Irritant
Risk Statements 11-36-36/37/38
R11:Highly flammable.
R36:Irritating to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 26-9-37/39-33-16-33,37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S9:Keep container in a well-ventilated place.
S37/39:Wear suitable gloves and eye/face protection.
S33:Take precautionary measures against static discharges.
S16:Keep away from sources of ignition.
S37/39:Wear suitable gloves and eye/face protection.
RIDADR UN 1993 3/PG 2
WGK Germany 2
F 10-21
HazardClass 3
PackingGroup II
HS Code 29110000

5. Use of 2,2-Dimethoxypropane
2,2-Dimethoxypropane is used as a pharmaceutical intermediate, mainly used for hydroxyl protection and dehydration.

6. Preparation of 2,2-Dimethoxypropane
The reaction mechanism for this reaction is sketched below. It is an acid catalysed process. Acids like camphorsulfonic acid or tosic acid can be used.