2,4,6-Trimethylphenol - CAS 527-60-6
Catalog: |
BB027931 |
Product Name: |
2,4,6-Trimethylphenol |
CAS: |
527-60-6 |
Synonyms: |
2,4,6-trimethylphenol |
IUPAC Name: | 2,4,6-trimethylphenol |
Description: | 2,4,6-Trimethylphenol (CAS# 527-60-6) is a useful research chemical. |
Molecular Weight: | 136.19 |
Molecular Formula: | C9H12O |
Canonical SMILES: | CC1=CC(=C(C(=C1)C)O)C |
InChI: | InChI=1S/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3 |
InChI Key: | BPRYUXCVCCNUFE-UHFFFAOYSA-N |
Boiling Point: | 220 °C |
Melting Point: | 70-73 °C |
Purity: | 95 % |
Density: | 220 |
Solubility: | Very soluble in ether and ethanol |
Appearance: | Beige crystalline needles |
Storage: | Store in a cool, dry place. Store in a tightly closed container. Corrosives area. |
Decomposition: | When heated to decomposition it emits acrid smoke and irritating vapors |
MDL: | MFCD00002235 |
LogP: | 2.31740 |
Vapor Pressure: | 0.05 [mmHg] |
GHS Hazard Statement: | H315: Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P321, P332+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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US-11040939-B1 | N-transfer reagent and method for preparing the same and its application | 20200623 |
EP-3842138-A1 | Phenol alkylation catalyst precursor and catalyst, and method of alkylating phenol | 20191224 |
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PMID | Publication Date | Title | Journal |
22946468 | 20121001 | Synthesis, structure, and magnetic studies of manganese-oxygen clusters of reduced coordination number, featuring an unchelated, 5-coordinate octanuclear manganese cluster with water-derived oxo ligands | Inorganic chemistry |
22575209 | 20120801 | Photochemical production of organic matter triplet states in water samples from mountain lakes, located below or above the tree line | Chemosphere |
22195640 | 20120621 | Prompt HO2 formation following the reaction of OH with aromatic compounds under atmospheric conditions | The journal of physical chemistry. A |
22394372 | 20120403 | Investigating the mechanism of phenol photooxidation by humic substances | Environmental science & technology |
22412439 | 20120301 | (N,N,N',N'-Tetra-methyl-ethylenediamine-κN)bis-(2,4,6-trimethyl-phenolato-κO)germanium(II) | Acta crystallographica. Section E, Structure reports online |
Complexity: | 99.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.088815002 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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