ChemicalBook--->CAS DataBase List--->5398-08-3

5398-08-3

5398-08-3 Structure

5398-08-3 Structure
IdentificationMore
[Name]

Diethyl isoamylmalonate
[CAS]

5398-08-3
[Synonyms]

DIETHYL ISOAMYLMALONATE
DIETHYL ISOPENTYLMALONATE
Diethyl(1-methylbutyl)propanedioate
Diethyl #niso-pentylmalonate
Diethylisopentylmalonate,98%
isopentylmalonic acid diethyl ester
(3-Methylbutyl)propanedioic acid diethyl ester
Diethyl 2-(3-methylbutyl)propanedioate
Diethyl 3-methylbutylmalonate
Malonic acid, isopentyl-, diethyl ester
Propanedioic acid, (3-methylbutyl)-, diethyl ester
2-(3-Methylbutyl)propanedioic acid diethyl ester
[EINECS(EC#)]

226-424-8
[Molecular Formula]

C12H22O4
[MDL Number]

MFCD00026872
[Molecular Weight]

230.3
[MOL File]

5398-08-3.mol
Chemical PropertiesBack Directory
[Boiling point ]

248-251°C
[density ]

0,958 g/cm3
[refractive index ]

1.4255 (estimate)
[storage temp. ]

Storage temp. 2-8°C
[Appearance]

Colorless to light yellow Liquid
[InChI]

InChI=1S/C12H22O4/c1-5-15-11(13)10(8-7-9(3)4)12(14)16-6-2/h9-10H,5-8H2,1-4H3
[InChIKey]

MPJCIHOJXMCSIM-UHFFFAOYSA-N
[SMILES]

C(OCC)(=O)C(CCC(C)C)C(OCC)=O
[CAS DataBase Reference]

5398-08-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[REACH Registrations]

Active
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium ethoxide-->3-Methyl-1-butanol-->1-Bromo-3-methylbutane
[Preparation Products]

Amobarbital-->Diethyl ethyl(isoamyl)malonate-->5-METHYLHEXANOIC ACID-->2-bromo-5-methylhexanoic Acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Diethyl isoamylmalonate(5398-08-3).msds
Hazard InformationBack Directory
[Chemical Properties]

liquid compound. Boiling point 116-128℃/0.68kPa.
[Uses]

Diethyl isoamylmalonate can be used as raw materials for medicine and intermediates of pesticides
[Synthesis]

Use isoamyl alcohol to bromide with hydrobromic acid in the presence of sulfuric acid, and then condense with diethyl malonate in the presence of sodium ethoxide to obtain Diethyl isoamylmalonate.
Spectrum DetailBack Directory
[Spectrum Detail]

Diethyl isoamylmalonate(5398-08-3)1HNMR
Diethyl isoamylmalonate(5398-08-3)IR1
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Diethyl isopentylmalonate, 98%(5398-08-3)
[Sigma Aldrich]

5398-08-3(sigmaaldrich)
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