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67035-94-3

67035-94-3 Structure

67035-94-3 Structure
IdentificationBack Directory
[Name]

DIETHYL MALONATE-2-13C
[CAS]

67035-94-3
[Synonyms]

DIETHYL MALONATE 13C
DIETHYL MALONATE-2-13C
(2-13C)Malonic acid diethyl ester
DIETHYL MALONATE-2-13C, 99 ATOM % 13C
[Molecular Formula]

C7H12O4
[MDL Number]

MFCD00037508
[MOL File]

67035-94-3.mol
[Molecular Weight]

161.18
Chemical PropertiesBack Directory
[Melting point ]

-51--50 °C (lit.)
[Boiling point ]

199 °C (lit.)
[density ]

1.054 g/mL at 25 °C
[vapor density ]

5.52 (vs air)
[vapor pressure ]

1 mm Hg ( 40 °C)
[Fp ]

212 °F
[storage temp. ]

Refrigerator
[solubility ]

Chloroform, Ethyl Acetate (Slightly)
[form ]

Oil
[color ]

Colourless
[InChI]

1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3/i5+1
[InChIKey]

IYXGSMUGOJNHAZ-HOSYLAQJSA-N
[SMILES]

CCOC(=O)[13CH2]C(=O)OCC
[CAS Number Unlabeled]

105-53-3
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38-36
[Safety Statements ]

26-36
[WGK Germany ]

3
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Uses]

Diethyl Malonate-2-13C is the labelled form of Diethyl Malonate(D444420) which occurs naturally in grapes and strawberries. It is used in the preparation of barbiturates, artificial flavourings, vitamin B1, and vitamin B6 as well as in perfumes.
Spectrum DetailBack Directory
[Spectrum Detail]

DIETHYL MALONATE-2-13C(67035-94-3)1HNMR
DIETHYL MALONATE-2-13C(67035-94-3)Raman
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105-53-3