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2,2-Dimethoxypropane

2,2-Dimethoxypropane structure

CAS No:
77-76-9
Formula:
C5H12O2
Chemical Name:
2,2-Dimethoxypropane
Synonyms:
Propane,2,2-dimethoxy-;Acetone,dimethyl acetal;2,2-Dimethoxypropane;Acetone dimethyl ketal;NSC 62085;2,2-Bis(methyloxy)propane;2,2-DMP
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

colourless liquid

2,2-Dimethoxypropane or acetone dimethyl acetal or DMP is an organic compound and an alkylating reagent. The chemical formula is C5H12O2 and the molecular formula is (CH3)2C(OCH3)2. It is the acetalisation product of acetone and methanol. Dimethoxypropane is an intermediate for the synthesis of 2-methoxypropene. In histology, DMP is now considered to be more efficient than ethanol for the dehydration of animal tissue.

2,2-Dimethoxypropane Basic Attributes

Molecular Weight：

104.15

Exact Mass：

104.15

BRN：

635678

EC Number：

201-056-0

UNII：

66P41R0030

NSC Number：

62085

DSSTox ID：

DTXSID7026441

HScode：

2911000000

Characteristics

PSA：

18.5

XLogP3：

0.43

Appearance：

Clear colorless Liquid

Density：

0.8448 g/cm³ @ Temp: 20 °C

Melting Point：

-47 °C

Boiling Point：

83 °C

Flash Point：

12 °F

Refractive Index：

1.380

Water Solubility：

H2O: 18 g/100 mL (25 ºC)

Storage Conditions：

Flammables area

Vapor Pressure：

60 mm Hg ( 15.8 °C)

Vapor Density：

3.59 (vs air)

Toxicity：

LD50 orally in Rabbit: > 2260 mg/kg LD50 dermal Rat > 2100 mg/kg

Explosive limit：

31%, 58°F

OH：

3.92e-12 cm3/molecule*sec

Peroxide Forming Chemical：

2,2-Dimethoxypropane|D*: Other compounds that may form peroxides|2 samples had 3-10 ppm peroxide; age >1 yrs|Management of time-sensitive chemicals (JCHAS)

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1993 3/PG 2

wgk germany：

hazard class code：

11-36-36/37/38

safety instructions：

26-9-37/39-33-16-33,37/39

Marks：

F,Xi

Stability/Shelf Life：

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.

Precautionary statement(s)：

P210-P305 + P351 + P338

Hazard Statements：

H225-H319

RIDADR：

UN 1993 3/PG 2

Caution Statement：

P210; P305 + P351 + P338

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 202 companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2,2-dimethoxypropane

2,2-Dimethoxypropane Use and Manufacturing

Uses

DMP is used in histology and considered to be more efficient than ethanol for the dehydration of animal tissue.

Manufacturing Info：

Propane, 2,2-dimethoxy-: ACTIVE

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Kovats' RI, non-polar column, isothermal	Packed	Squalane	615.	50.	isothermal	N2, Chromosorb W-AM; Column length: 6. m	Becerra, M.R.Sánchez, E.F.Domínguez, J.A.G.Muñoz, J.G.Molera, M.J.The use of gaseous and liquid n-paraffins in GC identification of oxidation products of acetondimethyl acetalJ. Chromatogr. Sci.1982, 20, 8, 363-366.
Kovats' RI, non-polar column, isothermal	Packed	Squalane	616.	50.	isothermal	N2, Chromosorb W-AM; Column length: 6. m	Becerra, M.R.Sánchez, E.F.Domínguez, J.A.G.Muñoz, J.G.Molera, M.J.The use of gaseous and liquid n-paraffins in GC identification of oxidation products of acetondimethyl acetalJ. Chromatogr. Sci.1982, 20, 8, 363-366.
Kovats' RI, non-polar column, isothermal	Packed	Apiezon L	620.	120.	isothermal	Celite 545	Bogoslovsky, Yu.N.Anvaer, B.I.Vigdergauz, M.S.Chromatographic constants in gas chromatography (in Russian)Standards Publ. House, Moscow, 1978, 192.
Kovats' RI, non-polar column, isothermal	Packed	Apiezon L	627.	160.	isothermal	Celite 545	Bogoslovsky, Yu.N.Anvaer, B.I.Vigdergauz, M.S.Chromatographic constants in gas chromatography (in Russian)Standards Publ. House, Moscow, 1978, 192.
Kovats' RI, non-polar column, isothermal	Capillary	OV-101	638.		temperature ramp	25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; T_start: 50. C; T_end: 250. C	Zenkevich, I.G.Experimentally measured retention indices.2005.

Computed Properties

Molecular Weight:104.15
XLogP3:0.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:104.083729621
Monoisotopic Mass:104.083729621
Topological Polar Surface Area:18.5
Heavy Atom Count:7
Complexity:44
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

91481-65-1

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