65402-55-3
GLYCERYL TRI(OCTANOATE-1-13C)
Name
GLYCERYL TRI(OCTANOATE-1-13C)
Formula
C27 H50 O6
MolWeight
473.653
1Identification
【Name】
GLYCERYL TRI(OCTANOATE-1-13C)
【CAS】
【MDL】
MFCD00083978
【English Synonyms】
【Formula】
C27 H50 O6
【MolWeight】
473.653
【Inchi】
InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3/i25+1,26+1,27+1
【InChIKey】
InChIKey=VLPFTAMPNXLGLX-UTXJEHKQSA-N
【SMILES】
CCCCCCC[13C](=O)OCC(CO[13C](=O)CCCCCCC)O[13C](=O)CCCCCCC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
【Flash point】
113 °C/113 °C
4CML File
GLYCERYL TRI(OCTANOATE-1-13C).cml
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