ChemicalBook--->CAS DataBase List--->72594-86-6

72594-86-6

72594-86-6 Structure

72594-86-6 Structure
IdentificationMore
[Name]

BENZYL TERT-BUTYL MALONATE
[CAS]

72594-86-6
[Synonyms]

BENZYL TERT-BUTYL MALONATE
MALONIC ACID BENZYL ESTER TERT-BUTYL ESTER
MALONIC ACID BENZYL TERT-BUTYL ESTER
MALONIC ACID TERT-BUTYL BENZYL ESTER
RARECHEM AH CK 0121
Malonic acid benzyl tert-butyl ester 95%
[EINECS(EC#)]

639-332-1
[Molecular Formula]

C14H18O4
[MDL Number]

MFCD01075175
[Molecular Weight]

250.29
[MOL File]

72594-86-6.mol
Chemical PropertiesBack Directory
[Boiling point ]

312.1±17.0 °C(Predicted)
[density ]

1.096±0.06 g/cm3(Predicted)
[refractive index ]

1.4860
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

liquid
[pka]

11.76±0.46(Predicted)
[color ]

Clear, colourless
[Water Solubility ]

Not miscible or difficult to mix in water.
[BRN ]

5434466
[InChI]

InChI=1S/C14H18O4/c1-14(2,3)18-13(16)9-12(15)17-10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
[InChIKey]

XKXXXODAXXAFNP-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)CC(OCC1=CC=CC=C1)=O
[CAS DataBase Reference]

72594-86-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[Hazard Note ]

Irritant
[HS Code ]

2915390090
Hazard InformationBack Directory
[Uses]

Benzyl tert-butyl malonate is used as a pharmaceutical intermediate.
Spectrum DetailBack Directory
[Spectrum Detail]

BENZYL TERT-BUTYL MALONATE(72594-86-6)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Benzyl tert-butyl malonate, 95%(72594-86-6)
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