57289-65-3
3,6-DIMETHYLOCTANOIC ACID METHYL ESTER
Name3,6-DIMETHYLOCTANOIC ACID METHYL ESTER
1Identification
【Name】
3,6-DIMETHYLOCTANOIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD18974140
【English Synonyms】
【Formula】
C11 H22 O2
【MolWeight】
186.293
【Inchi】
InChI=1S/C11H22O2/c1-5-9(2)6-7-10(3)8-11(12)13-4/h9-10H,5-8H2,1-4H3
【InChIKey】
InChIKey=GHVLZOQDODBSTB-UHFFFAOYSA-N
【SMILES】
CCC(C)CCC(C)CC(=O)OC
【MOL File】
3,6-DIMETHYLOCTANOIC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,6-DIMETHYLOCTANOIC ACID METHYL ESTER.cml