Benzaldehyde - CAS 100-52-7
Molecular Weight:
106.12
COA:
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Synonyms:
benzaldehyde
MSDS:
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InChIKey:
HUMNYLRZRPPJDN-UHFFFAOYSA-N
InChI:
InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
Canonical SMILES:
C1=CC=C(C=C1)C=O
1.Molecular characteristics of Illicium verum extractives to activate acquired immune response.
Peng W1, Lin Z1, Wang L1, Chang J1, Gu F1, Zhu X1. Saudi J Biol Sci. 2016 May;23(3):348-52. doi: 10.1016/j.sjbs.2015.10.027. Epub 2015 Nov 10.
Illicium verum, whose extractives can activate the demic acquired immune response, is an expensive medicinal plant. However, the rich extractives in I. verum biomass were seriously wasted for the inefficient extraction and separation processes. In order to further utilize the biomedical resources for the good acquired immune response, the four extractives were obtained by SJYB extraction, and then the immunology moleculars of SJYB extractives were identified and analyzed by GC-MS. The result showed that the first-stage extractives contained 108 components including anethole (40.27%), 4-methoxy-benzaldehyde (4.25%), etc.; the second-stage extractives had 5 components including anethole (84.82%), 2-hydroxy-2-(4-methoxy-phenyl)-n-methyl-acetamide (7.11%), etc.; the third-stage extractives contained one component namely anethole (100%); and the fourth-stage extractives contained 5 components including cyclohexyl-benzene (64.64%), 1-(1-methylethenyl)-3-(1-methylethyl)-benzene (17.
2.The synthesis and investigation of impurities found in Clandestine Laboratories: Baeyer-Villiger Route Part I; Synthesis of P2P from benzaldehyde and methyl ethyl ketone.
Doughty D1, Painter B1, Pigou PE1, Johnston MR2. Forensic Sci Int. 2016 Mar 24;263:55-66. doi: 10.1016/j.forsciint.2016.03.034. [Epub ahead of print]
The synthesis of impurities detected in clandestinely manufactured Amphetamine Type Stimulants (ATS) has emerged as more desirable than simple "fingerprint" profiling. We have been investigating the impurities formed when phenyl-2-propanone (P2P) 5, a key ATS precursor, is synthesised in three steps; an aldol condensation of benzaldehyde and methyl ethyl ketone (MEK); a Baeyer-Villiger reaction; and ester hydrolysis. We have identified and selectively synthesised several impurities that may be used as route specific markers for this series of synthetic steps. Specifically these impurities are 3-methyl-4-phenyl-3-buten-2-one 3, 2-methyl-1,5-diphenylpenta-1,4-diene-3-one 9, 2-(methylamino)-3-methyl-4-phenyl-3-butene 16, 2-(Methylamino)-3-methyl-4-phenylbutane 17, and 1-(methylamino)-2-methyl-1,5-diphenylpenta-4-ene-3-one 22.
3.Synthesis of some tetrahydropyrimidine-5-carboxylates, determination of their metal chelating effects and inhibition profiles against acetylcholinesterase, butyrylcholinesterase and carbonic anhydrase.
Sujayev A1, Garibov E1, Taslimi P2, Gulçin İ2,3, Gojayeva S1, Farzaliyev V1, Alwasel SH3, Supuran CT4,5. J Enzyme Inhib Med Chem. 2016 Mar 28:1-9. [Epub ahead of print]
2-(Methacryloyloxy)ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate, is a cyclic urea derivative synthesized from urea, 2-(methacryloyloxy) ethyl acetoacetate and substituted benzaldehyde, and tested in terms of the inhibition of two physiologically relevant carbonic anhydrase (CA) isozymes I and II. Acetylcholinesterase (AChE) is found in high concentrations in the red blood cells and brain. Butyrylcholinesterase (BChE) is another enzyme abundantly present in the liver and released into blood in a soluble form. Also, they were tested for the inhibition of AChE and BChE enzymes and demonstrated effective inhibition profiles with Ki values in the range of 429.24-530.80 nM against hCA I, 391.86-530.80 nM against hCA II, 68.48-97.19 nM against AChE and 104.70-214.15 nM against BChE. On the other hand, acetazolamide clinically used as CA inhibitor, showed Ki value of 281.33 nM against hCA I, and 202.70 nM against hCA II.
4.Benzaldehyde in cherry flavour as a precursor of benzene formation in beverages.
Loch C1, Reusch H2, Ruge I3, Godelmann R4, Pflaum T5, Kuballa T6, Schumacher S7, Lachenmeier DW8. Food Chem. 2016 Sep 1;206:74-7. doi: 10.1016/j.foodchem.2016.03.034. Epub 2016 Mar 11.
During sampling and analysis of alcohol-free beverages for food control purposes, a comparably high contamination of benzene (up to 4.6μg/L) has been detected in cherry-flavoured products, even when they were not preserved using benzoic acid (which is a known precursor of benzene formation). There has been some speculation in the literature that formation may occur from benzaldehyde, which is contained in natural and artificial cherry flavours. In this study, model experiments were able to confirm that benzaldehyde does indeed degrade to benzene under heating conditions, and especially in the presence of ascorbic acid. Analysis of a large collective of authentic beverages from the market (n=170) further confirmed that benzene content is significantly correlated to the presence of benzaldehyde (r=0.61, p<0.0001). In the case of cherry flavoured beverages, industrial best practices should include monitoring for benzene. Formulations containing either benzoic acid or benzaldehyde in combination with ascorbic acid should be avoided.
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CAS 100-52-7 Benzaldehyde

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