| CAS Number | 17269-95-3 |
| Catalog Number | AG01DYV0(AGN-PC-0NDLYB) |
| Chemical Name | 4-Butyl-2-methylphenol |
| IUPAC Name | 4-butyl-2-methylphenol |
| InChI | InChI=1S/C11H16O/c1-3-4-5-10-6-7-11(12)9(2)8-10/h6-8,12H,3-5H2,1-2H3 |
| InChI Key | WRGWAEBYMBFFCR-UHFFFAOYSA-N |
| MDL Number | MFCD22052244 |
| Molecular Formula | C11H16O |
| Molecular Weight | 164.2441 |
| SMILES | CCCCC1=CC(C)=C(O)C=C1 |
| Synonyms | 4-butyl-2-methylphenol,
17269-95-3,
4-butyl-o-cresol,
SCHEMBL2475751,
AKOS034119066,
ZINC141671664,
DA-39784,
FT-0717515,
4-butyl-2-methyl-phenol,
CID10964856,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.120115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.24g/mol |
| Monoisotopic Mass | 164.120115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number