4-Isopropylbenzoic acid - CAS 536-66-3
Catalog: |
BB028308 |
Product Name: |
4-Isopropylbenzoic acid |
CAS: |
536-66-3 |
Synonyms: |
4-(1-Methylethyl)benzoic Acid; p-Isopropylbenzoic Acid; Cumic Acid; Cuminic Acid; NSC 1907; NSC 20083; p-Cumic acid |
IUPAC Name: | 4-propan-2-ylbenzoic acid |
Description: | 4-Isopropylbenzoic acid, an aromatic monoterpenoid isolated from the stem bark of Bridelia retusa, has antifungal activities and is a reversible and non-competitive inhibitor of mushroom tyrosinase. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC(C)C1=CC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12) |
InChI Key: | CKMXAIVXVKGGFM-UHFFFAOYSA-N |
Boiling Point: | 271.8±19.0°C at 760 mmHg |
Melting Point: | 117-120°C |
Purity: | 95% |
Density: | 1.08 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to Off-white Solid |
Storage: | Store at 2-8°C under inert atmosphere |
MDL: | MFCD00002564 |
LogP: | 2.50820 |
GHS Hazard Statement: | H315 (100%): 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 |
27773815 | 20161118 | cIAPs promote the proteasomal degradation of mutant SOD1 linked to familial amyotrophic lateral sclerosis | Biochemical and biophysical research communications |
20846434 | 20100916 | Production of functionalized polyhydroxyalkanoates by genetically modified Methylobacterium extorquens strains | Microbial cell factories |
20178120 | 20100601 | High-level recombinant protein production in CHO cells using lentiviral vectors and the cumate gene-switch | Biotechnology and bioengineering |
18490899 | 20080701 | Cellular origins of adult human islet in vitro dedifferentiation | Laboratory investigation; a journal of technical methods and pathology |
18387195 | 20080403 | A new classification system for bacterial Rieske non-heme iron aromatic ring-hydroxylating oxygenases | BMC biochemistry |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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