55000-47-0
3,5-DIMETHYLBENZOIC ACID (3,5-DIMETHYLPHENYL)METHYL ESTER
Name3,5-DIMETHYLBENZOIC ACID (3,5-DIMETHYLPHENYL)METHYL ESTER
1Identification
【Name】
3,5-DIMETHYLBENZOIC ACID (3,5-DIMETHYLPHENYL)METHYL ESTER
【CAS】
【MDL】
MFCD18971776
【English Synonyms】
【Formula】
C18 H20 O2
【MolWeight】
268.354
【Inchi】
InChI=1S/C18H20O2/c1-12-5-13(2)8-16(7-12)11-20-18(19)17-9-14(3)6-15(4)10-17/h5-10H,11H2,1-4H3
【InChIKey】
InChIKey=FQXRRJLLIZJQQS-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc(c1)COC(=O)c2cc(cc(c2)C)C)C
【MOL File】
3,5-DIMETHYLBENZOIC ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIMETHYLBENZOIC ACID (3,5-DIMETHYLPHENYL)METHYL ESTER.cml