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CAS Number: 6945-45-5
triethyl propane-1,1,2-tricarboxylate

Structure

triethyl propane-1,1,2-tricarboxylate
Name: triethyl propane-1,1,2-tricarboxylate
Synonyms:
General Information
Product Number: 6945455
CAS Registry Number: 6945-45-5
Name:
        2,​2,​3-​Butanetricarboxylic acid, 3-​methyl-​, 1,​2,​4-​triethyl ester
        1,​1,​2-​Propanetricarboxylic acid, triethyl ester (6CI,​9CI); NSC 51137 
 
Chemical Formula: C12H20O6
Exact Mass: 260.13
Molecular Weight: 260.28
m/z: 260.13 (100.0%), 261.13 (13.4%), 262.13 (2.0%)
Elemental Analysis: C, 55.37; H, 7.74; O, 36.88
 
InChI: InChI=1S/C12H20O6/c1-5-16-10(13)8(4)9(11(14)17-6-2)12(15)18-7-3/h8-9H,5-7H2,1-4H3
InChIKey: JYMRIBGHCMHLSA-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C(C)C(C(=O)OCC)C(=O)OCC
 
Thermal Properties Value Condition Note
Boiling Point 161 °C Press: 11 Torr (1)CAS
Boiling Point 136-138 °C Press: 7 Torr (2)CAS
Boiling Point 99-101 °C Press: 1 Torr (3)CAS
Boiling Point See full text   (4)IC
 

Specification

98%

References

  • (1) Gault, H.; Compt. rend. 1910, V148, P1113-5 CAPLUS
  • (2) Preobrazhenskii, N. A.; Zhurnal Obshchei Khimii 1960, V30, P2250-6 CAPLUS
  • (3) Shemyakin, M. M.; Zhurnal Obshchei Khimii 1957, V27, P742-8 CAPLUS
  • (4) Sharygin, V. N.; Vestnik Kievskogo Politekhnicheskogo Instituta, Khimicheskoe Mashinostroenie i Tekhnologiya 1986, V23, P17-20 CAPLUS
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