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Showing posts with label Cuminaldehyde. Show all posts
Showing posts with label Cuminaldehyde. Show all posts

Saturday 22 November 2014

Cuminaldehyde or 4-isopropylbenzaldehyde, Spectral data



Cuminaldehyde


Cuminaldehyde or 4-isopropylbenzaldehyde,


The homotopic methyls at (a) and the unique H at (b) form an isopropyl (1-methylethyl) group, with an extremely characteristic pattern: doublet + septet, 6 : 1 integration ratio. As is often the case, we must expand the septet region to be able to see all seven peaks; if such an expansion is not available, the absorption may be referred to as a "multiplet", meaning "There's a bunch of lines there, but I can't quite count 'em!"
The pattern of the hydrogens on the benzene ring, (c) and (d), is also typical - typical for a 1,4-disubstituted benzene (para-disubstituted) with groups that differ distinctly, so that the hydrogens next to one substituent are in a significantly different environment than those next to the other. The two widely separated doublets (one neighbor) show clearly in the expansion.
The benzene chemical shift arises from an induced circulation of electrons:
The aldehyde H in R-CHO is usually found shifted downfield to the neighborhood of 9.5 ppm by an induced circulation of thep-electrons of the C=O. In Ar-CHO the additional circulation of the p-electrons of the benzene ring produces a further shift, to the vicinity of 10 ppm.


Cuminaldehyde
Synonym(s)Cumaldehyde
Cuminal
Cuminic aldehyde
p-Isopropylbenzaldehyde
Latest JECFA evaluation2001 (Session 57)
Status of specificationFull
Chemical name4-Isopropylbenzaldehye
JECFA number868
CAS number122-03-2  
FEMA number2341
COE number111
FLAVIS number-
Molecular weight148.2 
Chemical formulaC10H12O  
Physical form/odourcolourless to pale yellow liquid with a strong, pungent, spicy, green, herbaceous odour 
Solubilityinsoluble in water; soluble in organic solvents, oils 
Solubility in ethanolmiscible at room temperature 
Boiling point (°C)235-236°
Assay min %95% (by chemical analysis)
Acid value max5.0
Refractive index1.527-1.534
Specific gravity0.973-0.981
Other requirements(equivalence factor for assay = 74.04)
ID TestIR
Spectrumhttp://www.fao.org/ag/agn/jecfa-flav/img/img/868.gif