4-tert-Butyl-2-methylphenol - CAS 98-27-1
Catalog: |
BB042128 |
Product Name: |
4-tert-Butyl-2-methylphenol |
CAS: |
98-27-1 |
Synonyms: |
4-tert-butyl-2-methylphenol |
IUPAC Name: | 4-tert-butyl-2-methylphenol |
Description: | 4-tert-Butyl-2-methylphenol (CAS# 98-27-1) is a useful research chemical. |
Molecular Weight: | 164.24 |
Molecular Formula: | C11H16O |
Canonical SMILES: | CC1=C(C=CC(=C1)C(C)(C)C)O |
InChI: | InChI=1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3 |
InChI Key: | SNKLPZOJLXDZCW-UHFFFAOYSA-N |
Boiling Point: | 244.6 °C at 760 mmHg |
Melting Point: | 28-33 °C |
Purity: | 95 % |
Density: | 0.961 g/cm3 |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 2.99810 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113214324-A | Preparation method of substituted aryl organic phosphate nucleating agent | 20210414 |
CN-112225643-A | Method for performing cresol alkylation reaction in microreactor by using acidic ionic liquid | 20201116 |
JP-2021142730-A | Printed matter and its manufacturing method | 20200313 |
WO-2021116608-A1 | Process for the continuous preparation of heavy alkyl acrylates | 20191209 |
WO-2021105268-A1 | Use of alkyl phenol compounds as detergent additives for petrols | 20191129 |
PMID | Publication Date | Title | Journal |
18255120 | 20080401 | Characterization of alkylphenol metabolites in fish bile by enzymatic treatment and HPLC-fluorescence analysis | Chemosphere |
18027966 | 20071221 | Chemistry of 4-alkylaryloxenium ion 'precursors': sound and fury signifying something? | 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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