2,3,4,5,6-Pentamethylbenzyl alcohol - CAS 484-66-2
Catalog: |
BB026543 |
Product Name: |
2,3,4,5,6-Pentamethylbenzyl alcohol |
CAS: |
484-66-2 |
Synonyms: |
(2,3,4,5,6-pentamethylphenyl)methanol |
IUPAC Name: | (2,3,4,5,6-pentamethylphenyl)methanol |
Description: | 2,3,4,5,6-Pentamethylbenzyl alcohol (CAS# 484-66-2 ) is a useful research chemical. |
Molecular Weight: | 178.27 |
Molecular Formula: | C12H18O |
Canonical SMILES: | CC1=C(C(=C(C(=C1C)C)CO)C)C |
InChI: | InChI=1S/C12H18O/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h13H,6H2,1-5H3 |
InChI Key: | CMBCAWNOBIGGTE-UHFFFAOYSA-N |
Boiling Point: | 256 °C at 760 mmHg |
Melting Point: | 159-163 °C(lit.) |
Purity: | 98.0 % (GC) |
Density: | 0.965 g/cm3 |
Appearance: | White crystalline powder |
MDL: | MFCD00014421 |
LogP: | 2.72090 |
Publication Number | Title | Priority Date |
EP-2816050-A1 | Bimetallic complex comprising cyclopentadienyl and amidine ligands | 20130618 |
WO-2014202644-A1 | Bimetallic complex comprising cyclopentadienyl and amidine ligands | 20130618 |
EP-2801578-A1 | Metal complex with a bridged cyclopentadienyl amidine ligand | 20130508 |
WO-2014180922-A1 | Metal complex with a bridged cvclopentadienyl amidine ligand | 20130508 |
US-2014288251-A1 | Polymerization method using surfactant-containing particle | 20111207 |
PMID | Publication Date | Title | Journal |
15198606 | 20040623 | Scandium ion-promoted photoinduced electron transfer from electron donors to acridine and pyrene. Essential role of scandium ion in photocatalytic oxygenation of hexamethylbenzene | Journal of the American Chemical Society |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.135765193 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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