| CAS Number | 132944-37-7 |
| Catalog Number | AG019J5D |
| Chemical Name | 1-{4-[(2-ethylhexyl)oxy]phenyl}ethan-1-one |
| IUPAC Name | 1-[4-(2-ethylhexoxy)phenyl]ethanone |
| InChI | InChI=1S/C16H24O2/c1-4-6-7-14(5-2)12-18-16-10-8-15(9-11-16)13(3)17/h8-11,14H,4-7,12H2,1-3H3 |
| InChI Key | YUMOBFWFAISUNO-UHFFFAOYSA-N |
| MDL Number | MFCD04622287 |
| Molecular Formula | C16H24O2 |
| Molecular Weight | 248.3606 |
| SMILES | CCCCC(COC1=CC=C(C(C)=O)C=C1)CC |
| Synonyms | 1-{4-[(2-ethylhexyl)oxy]phenyl}ethan-1-one,
132944-37-7,
1-{4-[(2-ethylhexyl)oxy]phenyl}ethanone,
AC1NB97Y,
AC1Q2V9V,
SCHEMBL2601871,
CTK6D5829,
1-[4-(2-ethylhexoxy)phenyl]ethanone,
AKOS008967010,
MCULE-1546177723,
NE24309,
NCGC00332530-01,
EN300-08606,
AB01326193-02,
Z56944505,
ZINC03887433,
CID4464468,
1-(4-[(2-ethylhexyl)oxy]phenyl)ethan-1-one,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.366g/mol |
| Monoisotopic Mass | 248.178g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number