3,4-Dimethylbenzaldehyde - CAS 5973-71-7
Catalog: |
BB030478 |
Product Name: |
3,4-Dimethylbenzaldehyde |
CAS: |
5973-71-7 |
Synonyms: |
Benzaldehyde, 3,4-dimethyl-; 3,4-DBAL |
IUPAC Name: | 3,4-dimethylbenzaldehyde |
Description: | 3,4-Dimethylbenzaldehyde (CAS# 5973-71-7) is used in the study of Penicillium expansum for growth and the effects to nonvolatile and volatile compounds. |
Molecular Weight: | 134.18 |
Molecular Formula: | C9H10O |
Canonical SMILES: | CC1=C(C=C(C=C1)C=O)C |
InChI: | InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3 |
InChI Key: | POQJHLBMLVTHAU-UHFFFAOYSA-N |
Boiling Point: | 225-228°C |
Melting Point: | 225-226 °C |
Purity: | ≥95% |
Density: | 1.003±0.06 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Clear Colorless to Yellow Liquid |
Storage: | Store at 2-8°C under inert atmosphere |
MDL: | MFCD00016612 |
LogP: | 2.11590 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21682311 | 20110802 | Crystallinity enhancement of Nafion electrolyte membranes assisted by a molecular gelator | Langmuir : the ACS journal of surfaces and colloids |
21754694 | 20110601 | (E)-1-(3,4-Dimethyl-benzyl-idene)-2,2-diphenyl-hydrazine | Acta crystallographica. Section E, Structure reports online |
21754745 | 20110601 | 5-(3,4-Dimethyl-benzyl-idene)-2,2-dimethyl-1,3-dioxane-4,6-dione | Acta crystallographica. Section E, Structure reports online |
21587653 | 20100930 | 1-(3,4-Dimethyl-benzyl-idene)-4-ethyl-thio-semicarbazide | Acta crystallographica. Section E, Structure reports online |
21588652 | 20100818 | 1-(4-Chloro-phen-yl)-3-(3,4-dimethyl-phen-yl)prop-2-en-1-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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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