2,4-Dimethylbenzaldehyde - CAS 15764-16-6
Catalog: |
BB011336 |
Product Name: |
2,4-Dimethylbenzaldehyde |
CAS: |
15764-16-6 |
Synonyms: |
2,4-dimethylbenzaldehyde |
IUPAC Name: | 2,4-dimethylbenzaldehyde |
Description: | 2,4-Dimethylbenzaldehyde (CAS# 15764-16-6) is a useful research chemical. |
Molecular Weight: | 134.18 |
Molecular Formula: | C9H10O |
Canonical SMILES: | CC1=CC(=C(C=C1)C=O)C |
InChI: | InChI=1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3 |
InChI Key: | GISVICWQYMUPJF-UHFFFAOYSA-N |
Boiling Point: | 102.4-103 °C (14 mmHg) |
Melting Point: | -9 °C |
Purity: | 95 % |
Density: | 0.962 g/cm3 |
Solubility: | 356.1 mg/L at 25 °C (est) |
Appearance: | Clear colourless liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00003340 |
LogP: | 2.11590 |
GHS Hazard Statement: | H302 (95.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22259414 | 20120101 | (Z)-Ethyl 2-(2,4-dimethyl-benzyl-idene)-7-methyl-3-oxo-5-phenyl-3,5-dihydro-2H-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
21627838 | 20110531 | Antifungal activity of redox-active benzaldehydes that target cellular antioxidation | Annals of clinical microbiology and antimicrobials |
20126406 | 20100202 | Pro-inflammatory cytokines, IFNgamma and TNFalpha, influence immune properties of human bone marrow and Wharton jelly mesenchymal stem cells differentially | PloS one |
21577670 | 20090829 | (1E,4E)-1,5-Bis(2,4-dimethyl-phen-yl)penta-1,4-dien-3-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.073164938 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.073164938 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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