59354-71-1
DIMETHYL BENZYL CARBINYL ISOBUTYRATE
NameDIMETHYL BENZYL CARBINYL ISOBUTYRATE
1Identification
【Name】
DIMETHYL BENZYL CARBINYL ISOBUTYRATE
【CAS】
【MDL】
MFCD00216759
【English Synonyms】
【Formula】
C14 H20 O2
【MolWeight】
220.31
【Inchi】
InChI=1S/C14H20O2/c1-11(2)13(15)16-14(3,4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3
【InChIKey】
InChIKey=KOEHGIXXSWVEPT-UHFFFAOYSA-N
【SMILES】
CC(C)C(=O)OC(C)(C)Cc1ccccc1
【MOL File】
DIMETHYL BENZYL CARB….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
DIMETHYL BENZYL CARBINYL ISOBUTYRATE.cml