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5457-44-3

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5457-44-3 Structure

5457-44-3 Structure
IdentificationBack Directory
[Name]

DIMETHYL 3-OXOADIPATE
[CAS]

5457-44-3
[Synonyms]

DIMETHYL 3-OXODIPATE
DIMETHYL 3-OXOADIPATE
DIMETHYL BETA-KETOADIPATE
Dimethyl 3-oxohexanedioate
1,6-diMethyl 3-oxohexanedioate
3-Oxoadipic acid dimethyl ester
3-ketoadipic acid dimethyl ester
BETA-KETOADIPIC ACID DIMETHYL ESTER
3-OXOHEXANEDIOIC ACID DIMETHYL ESTER
Hexanedioic acid, 3-oxo-, dimethyl ester
Hexanedioic acid,3-oxo-, 1,6-dimethyl ester|||
[EINECS(EC#)]

226-716-5
[Molecular Formula]

C8H12O5
[MDL Number]

MFCD00008467
[MOL File]

5457-44-3.mol
[Molecular Weight]

188.18
Chemical PropertiesBack Directory
[Boiling point ]

122 °C(Press: 0.5 Torr)
[density ]

1.175 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.444
[storage temp. ]

Store at room temperature
[pka]

10.15±0.46(Predicted)
[Appearance]

Light yellow to yellow Liquid
[InChI]

InChI=1S/C8H12O5/c1-12-7(10)4-3-6(9)5-8(11)13-2/h3-5H2,1-2H3
[InChIKey]

CMGTZMRSJJKAPM-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)CC(=O)CCC(OC)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H332
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
[Safety Statements ]

23-24/25
Hazard InformationBack Directory
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 22, p. 848, 1957 DOI: 10.1021/jo01358a620
Synthesis, p. 568, 1999
Spectrum DetailBack Directory
[Spectrum Detail]

DIMETHYL 3-OXOADIPATE(5457-44-3)1HNMR
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