149105-26-0
ISOBUTYL 2,2-DIMETHYL-5-(2,5-XYLYLOXY)VALERATE
NameISOBUTYL 2,2-DIMETHYL-5-(2,5-XYLYLOXY)VALERATE
1Identification
【Name】
ISOBUTYL 2,2-DIMETHYL-5-(2,5-XYLYLOXY)VALERATE
【CAS】
【MDL】
MFCD08704557
【English Synonyms】
【Formula】
C19 H30 O3
【MolWeight】
306.443
【Inchi】
InChI=1S/C19H30O3/c1-14(2)13-22-18(20)19(5,6)10-7-11-21-17-12-15(3)8-9-16(17)4/h8-9,12,14H,7,10-11,13H2,1-6H3
【InChIKey】
InChIKey=REPYTKNMHNVOPH-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)OCCCC(C)(C)C(=O)OCC(C)C)C
【MOL File】
ISOBUTYL 2,2-DIMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:6.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ISOBUTYL 2,2-DIMETHYL-5-(2,5-XYLYLOXY)VALERATE.cml