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CAS Number: 13865-20-8
methyl 2,2-dimethyl-3-oxopropanoate

Structure

methyl 2,2-dimethyl-3-oxopropanoate
Name: methyl 2,2-dimethyl-3-oxopropanoate
Synonyms:
General Information
Product Number: 13865208

CAS Registry Number 13865-20-8
Name:
Propanoic acid, 2,​2-​dimethyl-​3-​oxo-​, methyl ester
Malonaldehydic acid, dimethyl-, methyl ester (8CI)
2,2-Dimethyl-3-oxopropanoic acid methyl ester
2,2-Dimethyl-3-oxopropionic acid methyl ester
2-(Methoxycarbonyl)-2-methylpropionaldehyde
Methyl 2,2-dimethyl-3-oxopropanoate

 

Chemical Formula: C6H10O3
Exact Mass: 130.06
Molecular Weight: 130.14
m/z: 130.06 (100.0%), 131.07 (6.7%)

 

InChI:InChI=1S/C6H10O3/c1-6(2,4-7)5(8)9-3/h4H,1-3H3

InChI Key:XFKYUMYFILZJGG-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C=O)C(=O)OC

 

Thermal Properties Value Condition Note
Boiling Point 130 °C Press: 100 Torr (1)IC
Boiling Point 50-53 °C Press: 16 Torr (2)IC
Boiling Point 49-50 °C Press: 12 Torr (3)CAS
Boiling Point 48 °C Press: 17 Torr (4)IC
Boiling Point 44 °C Press: 8 Torr (5)CAS
Boiling Point See full text   (6)CAS

Specification

98%

References
  1. (1) Okano, Kohji; Journal of the Chemical Society, Chemical Communications 1985, (3), P119-20 CAPLUS
  2. (2) Tanimoto, Shigeo; Synthesis 1982, (9), P723-5 CAPLUS
  3. (3) NL 6516193 1966 CAPLUS
  4. (4) Matsuda, Yoshihiko; Bulletin of the Institute for Chemical Research, Kyoto University 1989, V66(4), P374-7 CAPLUS
  5. (5) Falbe, Juergen; Brennstoff-Chemie 1967, V48(2), P46-52 CAPLUS
  6. (6) NL 6613226 1967 CAPLUS
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