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Safety Information

270814

Sigma-Aldrich

Di-tert-butyl 1,3-acetonedicarboxylate

98%

Synonym(s):

Di-tert-butyl 3-oxoglutarate

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About This Item

Linear Formula:
(CH3)3COOCCH2COCH2COOC(CH3)3
CAS Number:
28009-80-5
Molecular Weight:
258.31
Beilstein:
2272995
EC Number:
248-775-6
MDL number:
MFCD00010184
UNSPSC Code:
12352100
PubChem Substance ID:
24856402
NACRES:
NA.22

Assay

98%

form

solid

mp

58-60 °C (lit.)

solubility

methanol: soluble 1 g/10 mL, clear, colorless to faintly yellow

SMILES string

CC(C)(C)OC(=O)CC(=O)CC(=O)OC(C)(C)C

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

InChI key

KREDQIDLGFBDMQ-UHFFFAOYSA-N

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Application

Di-tert-butyl 1,3-acetonedicarboxylate was used in the synthesis of di-tert-butyl 2,3-pentadienedioate.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
1452167V
1452167
1397970
10023JH
01004DH

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Katoh T, et al.
Tetrahedron Asymmetry, 17(20), 2943-2951 (2006)

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