54345-66-3
1-[(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)OXY]-1-BUTANOL ACETATE
Name1-[(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)OXY]-1-BUTANOL ACETATE
1Identification
【Name】
1-[(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)OXY]-1-BUTANOL ACETATE
【CAS】
【MDL】
MFCD21608943
【English Synonyms】
【Formula】
C15 H26 O3
【MolWeight】
254.367
【Inchi】
InChI=1S/C15H26O3/c1-6-8-13(17-12(3)16)18-14-11(2)9-7-10-15(14,4)5/h13H,6-10H2,1-5H3
【InChIKey】
InChIKey=ARPFYHSQRGKVDX-UHFFFAOYSA-N
【SMILES】
CCCC(OC1=C(CCCC1(C)C)C)OC(=O)C
【MOL File】
1-[(2,6,6-TRIMETHYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)OXY]-1-BUTANOL ACETATE.cml