28009-80-5

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28009-80-5 Structure

Identification	Back Directory
[Name] DI-TERT-BUTYL 1,3-ACETONEDICARBOXYLATE
[CAS] 28009-80-5
[Synonyms] DI-TERT-BUTYL 3-OXOGLUTARATE Di-tert-butyl 3-oxopentanedioate 1,5-di-tert-Butyl 3-oxopentanedioate bis(1,1-dimethylethyl) 3-oxoglutarate 3-Oxoglutaric acid di-tert-butyl ester DI-TERT-BUTYL 1,3-ACETONEDICARBOXYLATE 3-Oxopentanedioic acid di-tert-butyl ester Pentanedioic acid, 3-oxo-, 1,5-bis(1,1-dimethylethyl) ester
[EINECS(EC#)] 248-775-6
[Molecular Formula] C13H22O5
[MDL Number] MFCD00010184
[MOL File] 28009-80-5.mol
[Molecular Weight] 258.31

Chemical Properties	Back Directory
[Melting point ] 58-60 °C (lit.)
[storage temp. ] 2-8°C
[solubility ] methanol: soluble1g/10 mL, clear, colorless to faintly yellow
[form ] solid
[Appearance] Off-white to light yellow Solid
[BRN ] 2272995
[InChI] 1S/C13H22O5/c1-12(2,3)17-10(15)7-9(14)8-11(16)18-13(4,5)6/h7-8H2,1-6H3
[InChIKey] KREDQIDLGFBDMQ-UHFFFAOYSA-N
[SMILES] CC(C)(C)OC(=O)CC(=O)CC(=O)OC(C)(C)C

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302-H315-H319-H335
[Precautionary statements ] P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
[WGK Germany ] 3
[F ] 21
[Storage Class] 11 - Combustible Solids

Hazard Information	Back Directory
[Uses] Di-tert-butyl 1,3-acetonedicarboxylate was used in the synthesis of di-tert-butyl 2,3-pentadienedioate.

Spectrum Detail	Back Directory
[Spectrum Detail] DI-TERT-BUTYL 1,3-ACETONEDICARBOXYLATE(28009-80-5)MS DI-TERT-BUTYL 1,3-ACETONEDICARBOXYLATE(28009-80-5)¹HNMR DI-TERT-BUTYL 1,3-ACETONEDICARBOXYLATE(28009-80-5)¹³CNMR DI-TERT-BUTYL 1,3-ACETONEDICARBOXYLATE(28009-80-5)IR1 DI-TERT-BUTYL 1,3-ACETONEDICARBOXYLATE(28009-80-5)IR2 DI-TERT-BUTYL 1,3-ACETONEDICARBOXYLATE(28009-80-5)Raman

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