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ChemicalBook--->CAS DataBase List--->5436-21-5

5436-21-5

5436-21-5 Structure

5436-21-5 Structure
IdentificationMore
[Name]

Acetylacetaldehyde dimethyl acetal
[CAS]

5436-21-5
[Synonyms]

1,1-DIMETHOXY-3-BUTANONE
1,1-DIMETHOXY BUTANONE-3
3-KETOBUTYRALDEHYDE-1-DIMETHYLACETAL
3-KETOBUTYRALDEHYDE DIMETHYL ACETAL
3-KETOBUTYRIC ALDEHYDE 1-DIMETHYL ACETAL
3-OXOBUTYRALDEHYDE DIMETHYLACETAL
4,4-DIMETHOXY-2-BUTANONE
4,4-DIMETHOXY BUTAN-2-ONE
4,4-dimethoxybutanon
AADMA
ACETOACETALDEHYDE-1,1-DIMETHYL ACETAL
ACETOACETALDEHYDE DIMETHYL ACETAL
ACETYLACETALDEHYDE DIMETHYL ACETAL
DMB
FADMA
FEMA 3381
FORMYLACETONE DIMETHYL ACETAL
KBA
3-Oxobutyraldehyde 1-(dimethylacetal)
4,4-dimethoxy-2-butanon
[EINECS(EC#)]

226-605-1
[Molecular Formula]

C6H12O3
[MDL Number]

MFCD00008789
[Molecular Weight]

132.16
[MOL File]

5436-21-5.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless to yellow liquid
[Melting point ]

-82 °C
[Boiling point ]

70-73 °C/20 mmHg (lit.)
[density ]

0.996 g/mL at 25 °C(lit.)
[FEMA ]

3381
[refractive index ]

n20/D 1.414(lit.)
[Fp ]

121 °F
[storage temp. ]

Flammables area
[solubility ]

soluble in Chloroform, Ethyl Acetate
[form ]

Liquid
[color ]

Clear colorless to yellow
[Odor]

at 0.10 % in dipropylene glycol. ethereal musty nutty alcoholic bitter
[Odor Type]

ethereal
[Water Solubility ]

decomposes
[Detection Methods]

GC,NMR
[JECFA Number]

593
[BRN ]

1702372
[InChIKey]

PJCCSZUMZMCWSX-UHFFFAOYSA-N
[LogP]

0.33
[CAS DataBase Reference]

5436-21-5(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Butanone, 4,4-dimethoxy-(5436-21-5)
[EPA Substance Registry System]

5436-21-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F
[Risk Statements ]

R10:Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1989 3/PG 3
[WGK Germany ]

2
[RTECS ]

EL7592500
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29145000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Methanol
[Preparation Products]

Ethyl 5-methyl-1H-pyrrole-2-carboxylate-->1-METHOXY-3-TRIMETHYLSILOXY-1,3-BUTADIENE-->3-Methyl-2-furoic acid-->METHYL 3-METHYL-2-FUROATE-->4-METHOXY-3-BUTEN-2-ONE-->2-FLUORO-6-METHYLNAPHTHALENE-->4-METHYL-PYRIMIDINE-2-SULFONYL FLUORIDE-->5-METHYL-4-ISOXAZOLESULFONYL CHLORIDE-->2-METHANESULFONYL-4-METHYL-PYRIMIDINE-->4 4-DIMETHOXY-2-METHYL-2-BUTANOL 97-->4-METHYL-2-(METHYLSULFANYL)PYRIMIDINE-->3-METHYL-1-PHENYLPYRAZOLE-->5-METHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

KBA(5436-21-5).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless to yellow liquid
[Uses]

Acetaldehyde dimethyl acetal is used as a flavoring agent. It is also used in the preparation of (R)-4,4-dimethoxy-2-butanol, pyrazoles and pyrimidines. Further, it is used in the preparation of N,N-diethyl-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]-pyrimidin-3-yl]acetamide and acetoacetaldehyde.
[Definition]

ChEBI: 4,4-Dimethoxy-2-butanone is a ketone.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 41, p. 3765, 1976 DOI: 10.1021/jo00885a028
Tetrahedron Letters, 28, p. 6657, 1987 DOI: 10.1016/S0040-4039(00)96938-7
[General Description]

4,4-Dimethoxy-2-butanone (Acetylacetaldehyde dimethylacetal) is a ketone.
[storage]

Store at -20°C
[Toxics Screening Level]

The ITSL for 4,4-dimethoxy-2-butanone is 20 μg/m3 annual average.
Spectrum DetailBack Directory
[Spectrum Detail]

Acetylacetaldehyde dimethyl acetal(5436-21-5)MS
Acetylacetaldehyde dimethyl acetal(5436-21-5)1HNMR
Acetylacetaldehyde dimethyl acetal(5436-21-5)13CNMR
Acetylacetaldehyde dimethyl acetal(5436-21-5)IR1
Acetylacetaldehyde dimethyl acetal(5436-21-5)IR2
Acetylacetaldehyde dimethyl acetal(5436-21-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Acetylacetaldehyde dimethyl acetal, 95%(5436-21-5)
[Alfa Aesar]

Acetylacetaldehyde dimethyl acetal, 90+%(5436-21-5)
[Sigma Aldrich]

5436-21-5(sigmaaldrich)
[TCI AMERICA]

1,1-Dimethoxy-3-butanone,>90.0%(GC)(5436-21-5)
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