2-tert-Butyl-4-methylphenol - CAS 2409-55-4
Catalog: |
BB018329 |
Product Name: |
2-tert-Butyl-4-methylphenol |
CAS: |
2409-55-4 |
Synonyms: |
2-tert-butyl-4-methylphenol |
IUPAC Name: | 2-tert-butyl-4-methylphenol |
Description: | 2-tert-Butyl-4-methylphenol (CAS# 2409-55-4) is a versatile buidling bloch used in the various chemical synthesis. It is used in the synthesis of 2-t-butyl-p-cresol amide derivatives, having the antibacterial and antifouling properties. |
Molecular Weight: | 164.24 |
Molecular Formula: | C11H16O |
Canonical SMILES: | CC1=CC(=C(C=C1)O)C(C)(C)C |
InChI: | InChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3 |
InChI Key: | IKEHOXWJQXIQAG-UHFFFAOYSA-N |
Boiling Point: | 237 °C |
Melting Point: | 50-53°C |
Flash Point: | 105°C |
Density: | 0.961 g/cm3 |
Solubility: | Water : Insoluble |
Appearance: | White to tan solid or crystals |
Storage: | Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. |
MDL: | MFCD00002381 |
LogP: | 2.99810 |
Refractive Index: | 1.5155 (20°C) |
Stability: | Stable at room temperature in closed containers under normal storage and handling conditions. |
Vapor Pressure: | 0.02 [mmHg] |
GHS Hazard Statement: | H314 (95.83%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P273, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P391, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113512279-A | High-color-fixing master batch and preparation method thereof | 20210805 |
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PMID | Publication Date | Title | Journal |
15500351 | 20041101 | Mononuclear and dinuclear monoperoxovanadium(v) complexes with a hetero ligand. 1.(1) Self-decomposition reaction, detection of reactive oxygen species, and oxidizing ability | Inorganic chemistry |
15517910 | 20040901 | Kinetic radical scavenging activity and cytotoxicity of 2-methoxy- and 2-t-butyl-substituted phenols and their dimers | Anticancer research |
15267402 | 20040315 | The relationship between crystal structure and methyl and t-butyl group dynamics in van der Waals organic solids | The Journal of chemical physics |
14981915 | 20031101 | Cytotoxicity and apoptosis induction by butylated hydroxyanisole (BHA) and butylated hydroxytoluene (BHT) | Anticancer research |
12558443 | 20030207 | Short synthesis of tert-butyl-hydroxylated 3,5-di-tert-butyl-4-hydroxybenzaldehyde: Synthesis of tert-butyl-hydroxylated S-2474 | The Journal of organic chemistry |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.120115130 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.120115130 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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