13403-01-5
2-(2,4-DI-TERT-PENTYLPHENOXY)BUTYRIC ACID
Name2-(2,4-DI-TERT-PENTYLPHENOXY)BUTYRIC ACID
1Identification
【Name】
2-(2,4-DI-TERT-PENTYLPHENOXY)BUTYRIC ACID
【CAS】
【MDL】
MFCD00045895
【English Synonyms】
【Formula】
C20 H32 O3
【MolWeight】
320.47
【Inchi】
InChI=1S/C20H32O3/c1-8-16(18(21)22)23-17-12-11-14(19(4,5)9-2)13-15(17)20(6,7)10-3/h11-13,16H,8-10H2,1-7H3,(H,21,22)
【InChIKey】
InChIKey=PHCYXPLSQNMCRY-UHFFFAOYSA-N
【SMILES】
CCC(C(=O)O)Oc1ccc(cc1C(C)(C)CC)C(C)(C)CC
【MOL File】
2-(2,4-DI-TERT-PENTY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:7.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(2,4-DI-TERT-PENTYLPHENOXY)BUTYRIC ACID.cml