4-Isopropyl-3-methylphenol - CAS 3228-02-2
Catalog: |
BB021244 |
Product Name: |
4-Isopropyl-3-methylphenol |
CAS: |
3228-02-2 |
Synonyms: |
3-Methyl-4-(1-methylethyl)phenol; m-Cresol, 4-isopropyl-; o-Cymen-5-ol; 1-Hydroxy-3-methyl-4-isopropylbenzene; 3-Methyl-4-(propan-2-yl)phenol; 3-Methyl-4-isopropylphenol; 4-Isopropyl-3-methylphenol; 4-Isopropyl-5-methylphenol; 4-Isopropyl-m-cresol; 5-Methyl-4-isopropylphenol; Biosol; Biosol (antibacterial); Frecide; IPMP; Isopropylmethylphenol; NSC 62111; p-Thymol |
IUPAC Name: | 3-methyl-4-propan-2-ylphenol |
Description: | 4-Isopropyl-3-methylphenol has a wide range of bactericidal properties for various bacteria, yeast, fungi, viruses, etc. It can absorb specific wavelengths of ultraviolet light and can inhibit oxidation. It is used for external disinfectants (including hand sanitizer), oral sanitizer, hair tonics, anti-comedogenic agents, toothpaste, facial masks, and so on. |
Molecular Weight: | 150.22 |
Molecular Formula: | C10H14O |
Canonical SMILES: | CC1=C(C=CC(=C1)O)C(C)C |
InChI: | InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3 |
InChI Key: | IJALWSVNUBBQRA-UHFFFAOYSA-N |
Boiling Point: | 238°C |
Melting Point: | 114°C |
Flash Point: | 104.1°C |
Purity: | >95% |
Density: | 0.974±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | White crystals |
Storage: | Store at RT |
LogP: | 2.82400 |
GHS Hazard Statement: | H315 (40.68%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113341651-A | Photoresist and patterning method | 20210625 |
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JP-2021102661-A | Pest control composition and control method | 20210416 |
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PMID | Publication Date | Title | Journal |
22374299 | 20120501 | Biological removal of pharmaceuticals and personal care products during laboratory soil aquifer treatment simulation with different primary substrate concentrations | Water research |
22367332 | 20120401 | Determination of pharmaceuticals and antiseptics in water by solid-phase extraction and gas chromatography/mass spectrometry: analysis via pentafluorobenzylation and stable isotope dilution | Analytical and bioanalytical chemistry |
22438954 | 20120101 | Carvacrol, a food-additive, provides neuroprotection on focal cerebral ischemia/reperfusion injury in mice | PloS one |
21762148 | 20110801 | Maintenance of gingival health post professional care | International dental journal |
21762150 | 20110801 | A randomised clinical trial to assess maintenance of gingival health by a novel dentifrice containing 0.1%w/w o-cymen-5-ol and 0.6%w/w zinc chloride | International dental journal |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.104465066 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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