2,4,5-Trimethylbenzaldehyde - CAS 5779-72-6
Catalog: |
BB029824 |
Product Name: |
2,4,5-Trimethylbenzaldehyde |
CAS: |
5779-72-6 |
Synonyms: |
2,4,5-trimethylbenzaldehyde |
IUPAC Name: | 2,4,5-trimethylbenzaldehyde |
Description: | 2,4,5-Trimethylbenzaldehyde (CAS# 5779-72-6) is a useful research chemical. |
Molecular Weight: | 148.20 |
Molecular Formula: | C10H12O |
Canonical SMILES: | CC1=CC(=C(C=C1C=O)C)C |
InChI: | InChI=1S/C10H12O/c1-7-4-9(3)10(6-11)5-8(7)2/h4-6H,1-3H3 |
InChI Key: | LROJZZICACKNJL-UHFFFAOYSA-N |
Boiling Point: | 243 °C |
Melting Point: | 41-46 °C (lit.) |
Purity: | 95 % |
Density: | 0.97 g/cm3 |
Solubility: | Other solvents(Soluble) : Methanol |
Appearance: | White to tan powder or crystals |
MDL: | MFCD00017713 |
LogP: | 2.42430 |
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-2021134398-A1 | Combinatorial Chemistry Computational System and Enhanced Selection Method | 20191106 |
WO-2021085321-A1 | Resin composition, resin sheet, cured film, method for manufacturing cured film, semiconductor device, organic el display device, and display device | 20191029 |
WO-2021054459-A1 | Benzotriazole compound, light absorber, and resin composition | 20190918 |
JP-2020125464-A | Composition containing bisphenol compound | 20190201 |
CN-108359573-A | Lichee brandy and preparation method thereof | 20180524 |
PMID | Publication Date | Title | Journal |
21254397 | 20110201 | A study on the essential oil of Ferulago campestris: how much does extraction method influence the oil composition? | Journal of separation science |
18022631 | 20071221 | Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain | Journal of chromatography. A |
11218043 | 20010101 | The disposition and metabolism of durene (1,2,4,5-tetramethylbenzene) in rats | Archives of toxicology |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.088815002 |
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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