2,4-Diisopropylphenol - CAS 2934-05-6
Catalog: |
BB020172 |
Product Name: |
2,4-Diisopropylphenol |
CAS: |
2934-05-6 |
Synonyms: |
2,4-di(propan-2-yl)phenol |
IUPAC Name: | 2,4-di(propan-2-yl)phenol |
Description: | An impurity of Propofol.Propofol is a short-acting medication that results in a decreased level of consciousness and lack of memory for events. Its uses include the starting and maintenance of general anesthesia, sedation for mechanically ventilated adults, and procedural sedation. |
Molecular Weight: | 178.27 |
Molecular Formula: | C12H18O |
Canonical SMILES: | CC(C)C1=CC(=C(C=C1)O)C(C)C |
InChI: | InChI=1S/C12H18O/c1-8(2)10-5-6-12(13)11(7-10)9(3)4/h5-9,13H,1-4H3 |
InChI Key: | KEUMBYCOWGLRBQ-UHFFFAOYSA-N |
Boiling Point: | 79-80 ℃ (lit.) |
Purity: | > 95 % |
Density: | 0.948 g/mL at 25℃(lit.) |
Appearance: | Colorless liquid |
LogP: | 3.63900 |
GHS Hazard Statement: | H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
20153203 | 20100301 | Characterization of anticancer properties of 2,6-diisopropylphenol-docosahexaenoate and analogues in breast cancer cells | Bioorganic & medicinal chemistry |
19897032 | 20100131 | Comparative study on determination of antioxidant and membrane activities of propofol and its related compounds | European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences |
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: | 2 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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