855371-62-9
5-METHYL-2-(1-METHYLETHYL)PHENYL ESTER OCTANOIC ACID
Name5-METHYL-2-(1-METHYLETHYL)PHENYL ESTER OCTANOIC ACID
1Identification
【Name】
5-METHYL-2-(1-METHYLETHYL)PHENYL ESTER OCTANOIC ACID
【CAS】
【MDL】
MFCD16618582
【English Synonyms】
【Formula】
C18 H28 O2
【MolWeight】
276.417
【Inchi】
InChI=1S/C18H28O2/c1-5-6-7-8-9-10-18(19)20-17-13-15(4)11-12-16(17)14(2)3/h11-14H,5-10H2,1-4H3
【InChIKey】
InChIKey=XZMCBWDNOAUFMX-UHFFFAOYSA-N
【SMILES】
CCCCCCCC(=O)Oc1cc(ccc1C(C)C)C
【MOL File】
5-METHYL-2-(1-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-2-(1-METHYLETHYL)PHENYL ESTER OCTANOIC ACID.cml