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00483

Sigma-Aldrich

Isobutyl acetoacetate

≥98.0% (GC)

Linear Formula:
CH3COCH2COOCH2CH(CH3)3
CAS Number:
Molecular Weight:
158.19
Beilstein:
1761405
EC Number:
MDL number:
eCl@ss:
39022304
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

≥98.0% (GC)

form

liquid

refractive index

n20/D 1.424 (lit.)
n20/D 1.424

bp

100 °C/22 mmHg (lit.)

density

0.98 g/mL at 25 °C (lit.)

SMILES string

CC(C)COC(=O)CC(C)=O

InChI

1S/C8H14O3/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3

InChI key

ZYXNLVMBIHVDRH-UHFFFAOYSA-N

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Caution

may discolor to yellow on storage

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

172.4 °F - closed cup

Flash Point(C)

78 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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