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556025

Sigma-Aldrich

tert-Butyl methyl succinate

97%

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About This Item

Linear Formula:
(CH3)3CO2CCH2CH2CO2CH3
CAS Number:
14734-25-9
Molecular Weight:
188.22
MDL number:
MFCD03427170
UNSPSC Code:
12352100
PubChem Substance ID:
24879514
NACRES:
NA.22

Quality Level

100

Assay

97%

refractive index

n20/D 1.421 (lit.)

bp

85-95 °C/20 mmHg (lit.)

density

1.022 g/mL at 25 °C (lit.)

SMILES string

COC(=O)CCC(=O)OC(C)(C)C

InChI

1S/C9H16O4/c1-9(2,3)13-8(11)6-5-7(10)12-4/h5-6H2,1-4H3

InChI key

KGLNZUDBQPORRI-UHFFFAOYSA-N

General description

tert-Butyl methyl succinate is an ester. Mixture of its threo- and erythro- isomeric forms were obtained by the addition reaction between tert-butyl alcohol and 4-oxo-but-3-enoate in the presence of lithium tert-butoxide (catalyst).

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Danheiser RL.
Science of Synthesis: Houben-Weyl Methods of Molecular Transformations, 689-689 (2014)

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