54932-80-8
1-(3-BUTYL-2-HYDROXY-5-METHYLPHENYL)ETHANONE
Name1-(3-BUTYL-2-HYDROXY-5-METHYLPHENYL)ETHANONE
1Identification
【Name】
1-(3-BUTYL-2-HYDROXY-5-METHYLPHENYL)ETHANONE
【CAS】
【MDL】
MFCD18971605
【English Synonyms】
【Formula】
C13 H18 O2
【MolWeight】
206.283
【Inchi】
InChI=1S/C13H18O2/c1-4-5-6-11-7-9(2)8-12(10(3)14)13(11)15/h7-8,15H,4-6H2,1-3H3
【InChIKey】
InChIKey=QCSSXFWVKJOBGU-UHFFFAOYSA-N
【SMILES】
CCCCc1cc(cc(c1O)C(=O)C)C
【MOL File】
1-(3-BUTYL-2-HYDROXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-BUTYL-2-HYDROXY-5-METHYLPHENYL)ETHANONE.cml