3,5-Dimethoxytoluene - CAS 4179-19-5
Catalog: |
BB024960 |
Product Name: |
3,5-Dimethoxytoluene |
CAS: |
4179-19-5 |
Synonyms: |
Benzene, 1,3-dimethoxy-5-methyl-; Toluene, 3,5-dimethoxy-; 1-Methyl-3,5-dimethoxybenzene; 5-Methyl-1,3-dimethoxybenzene; 5-Methylresorcinol dimethyl ether; NSC 72352; Orcinol dimethyl ether |
IUPAC Name: | 1,3-dimethoxy-5-methylbenzene |
Molecular Weight: | 152.19 |
Molecular Formula: | C9H12O2 |
Canonical SMILES: | CC1=CC(=CC(=C1)OC)OC |
InChI: | InChI=1S/C9H12O2/c1-7-4-8(10-2)6-9(5-7)11-3/h4-6H,1-3H3 |
InChI Key: | RIZBLVRXRWHLFA-UHFFFAOYSA-N |
Boiling Point: | 244°C |
Melting Point: | 145-147°C |
Flash Point: | 215°F |
Purity: | ≥95% |
Density: | 0.990±0.06 g/cm3 |
Solubility: | Soluble in Chloroform (Sparingly), Methanol (Sparingly) |
Appearance: | Clear Colorless to Yellow Liquid |
Storage: | Store at 2-8°C |
MDL: | MFCD00015435 |
LogP: | 2.01220 |
Refractive Index: | 1.522 |
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 |
Publication Number | Title | Priority Date |
US-11045792-B1 | Highly efficient nanosized mesoporous CuMgAl ternary oxide catalyst | 20200930 |
WO-2021127333-A1 | Trpml modulators | 20191219 |
WO-2021110525-A1 | Method for determining authenticity and adulteration of marked petroleum hydrocarbons | 20191203 |
WO-2021081881-A1 | Functional carbohydrate molecule based on tdg molecular scaffold, and preparation method therefor | 20191031 |
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PMID | Publication Date | Title | Journal |
22666407 | 20120101 | Synthesis and biological evaluation of phenanthrenes as cytotoxic agents with pharmacophore modeling and ChemGPS-NP prediction as topo II inhibitors | PloS one |
22194838 | 20110101 | Genomic approach to study floral development genes in Rosa sp | PloS one |
21209898 | 20101230 | Divergent chemical cues elicit seed collecting by ants in an obligate multi-species mutualism in lowland Amazonia | PloS one |
21139267 | 20101201 | Synthesis, biological activity of salidroside and its analogues | Chemical & pharmaceutical bulletin |
19582485 | 20100201 | Does mycorrhization influence herbivore-induced volatile emission in Medicago truncatula? | Mycorrhiza |
Complexity: | 102 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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