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CAS Number: 1522-46-9
ethyl 2-acetyl-3-methylbutanoate

Structure

ethyl 2-acetyl-3-methylbutanoate
Name: ethyl 2-acetyl-3-methylbutanoate
Synonyms:
General Information
Product Number: 1522469

CAS Registry Number 1522-46-9
Name:
Butanoic acid, 2-​acetyl-​3-​methyl-​, ethyl ester
Acetoacetic acid, 2-isopropyl-, ethyl ester (6CI,7CI,8CI)
Isovaleric acid, α-acetyl-, Et ester (4CI)
2-Acetyl-3-methylbutyric acid ethyl ester
2-Isopropyl-3-oxobutanoic acid ethyl ester
Ethyl 2-acetyl-3-methylbutanoate

 

Chemical Formula: C9H16O3
Exact Mass: 172.11
Molecular Weight: 172.22
m/z: 172.11 (100.0%), 173.11 (9.8%)

 

InChI:InChI=1S/C9H16O3/c1-5-12-9(11)8(6(2)3)7(4)10/h6,8H,5H2,1-4H3

InChI Key:DMIFFKCVURTPTG-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C(C(C)C)C(=O)C

Specification

98%

References
  1. (3) Bailey, Wm. J.; Journal of Organic Chemistry 1957, V22, P1189-92 CAPLUS
  2. (6) GB 798563 1958 CAPLUS
  3. (9) Alexander, Elliot R.; Journal of the American Chemical Society 1951, V73, P356-8 CAPLUS
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