4-(1-Methylbutyl)phenol - CAS 94-06-4
Catalog: |
BB054169 |
Product Name: |
4-(1-Methylbutyl)phenol |
CAS: |
94-06-4 |
Synonyms: |
Phenol, 4-(1-methylbutyl)-; NSC7947; 2-(4-Hydroxyphenyl)pentane; Phenol, p-(1-methylbutyl)-; 4-(2-Pentanyl)phenol; p-(1-Methylbutyl)phenol |
IUPAC Name: | 4-pentan-2-ylphenol |
Molecular Weight: | 164.25 |
Molecular Formula: | C11H16O |
Canonical SMILES: | CCCC(C)C1=CC=C(C=C1)O |
InChI: | InChI=1S/C11H16O/c1-3-4-9(2)10-5-7-11(12)8-6-10/h5-9,12H,3-4H2,1-2H3 |
InChI Key: | JTHGIRIGZAGNOX-UHFFFAOYSA-N |
Boiling Point: | 247.0±9.0°C at 760 mmHg |
Melting Point: | 150-156°C |
Purity: | ≥95% |
Density: | 0.9708±0.1 g/cm3 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.12011513 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.12011513 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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