Details
Stereochemistry | ACHIRAL |
Molecular Formula | C7H6O |
Molecular Weight | 106.1219 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O=CC1=CC=CC=C1
InChI
InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N
InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
Molecular Formula | C7H6O |
Molecular Weight | 106.1219 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Benzaldehyde is the simplest and possibly the most industrially useful member of the family of aromatic aldehydes. Benzaldehyde exists in nature, primarily in combined forms such as a glycoside in almond, apricot, cherry, and peach seeds. The characteristic benzaldehyde odor of oil of bitter almond occurs because of trace amounts of free benzaldehyde formed by hydrolysis of the glycoside amygdalin. Benzaldehyde is a versatile intermediate because of its reactive aldehyde hydrogen, its carbonyl group, and the benzene ring. Benzaldehyde is formed from phenylpyruvic acid, derived by the aminotransferase activity on phenylalanine, in the presence of high levels of Mn2+, and contributes to the generation of flavor compound during cheese ripening. Benzaldehyde is a synthetic flavoring substance, sanctioned by the U.S. Food and Drug Administration (FDA) to be generally recognized as safe (GRAS) for foods. Benzaldehyde is also recognized as safe for use as a bee repellant in the harvesting of honey. Benzaldehyde's most important use is in organic synthesis, where it is the raw material utilized to produce various aldehydes. Because Benzaldehyde rapidly metabolizes to Benzoic Acid in the skin, the available dermal irritation and sensitization data demonstrating no adverse reactions to Benzoic Acid were considered supportive of the safety of Benzaldehyde.
Approval Year
PubMed
Title | Date | PubMed |
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Individual variation in hepatic aldehyde oxidase activity. | 2001 Apr |
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Facile synthesis of (R)-4-mercaptopyrrolidine-2-thione from L-aspartic acid. | 2001 Apr |
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Determination of aldehydes and ketones in air samples using cryotrapping sampling. | 2001 Aug |
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Catalyzed asymmetric dialkylzinc addition to benzaldehyde in the presence of new chiral ligands--delta-(1-phenethyl)aminoalcohols. | 2001 Aug |
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Synthesis, structure, and redox and catalytic properties of a new family of ruthenium complexes containing the tridentate bpea ligand. | 2001 Aug 13 |
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Odor exposure causes central adaptation and morphological changes in selected olfactory glomeruli in Drosophila. | 2001 Aug 15 |
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Increasing the number of synapses modifies olfactory perception in Drosophila. | 2001 Aug 15 |
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Continuous production of (R)-phenylacetylcarbinol in an enzyme-membrane reactor using a potent mutant of pyruvate decarboxylase from Zymomonas mobilis. | 2001 Aug 20 |
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Benzyloxybenzaldehyde analogues as novel adenylyl cyclase activators. | 2001 Aug 6 |
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Immobilization of chiral ligands on polymer fibers by electron beam induced grafting and applications in enantioselective catalysis. | 2001 Aug 9 |
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Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin. | 2001 Dec 28 |
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Dynamic structures of horse liver alcohol dehydrogenase (HLADH): results of molecular dynamics simulations of HLADH-NAD(+)-PhCH(2)OH, HLADH-NAD(+)-PhCH(2)O(-), and HLADH-NADH-PhCHO. | 2001 Dec 5 |
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Photopolymerization of liquid carbon disulfide produces nanoscale polythiene films. | 2001 Feb 14 |
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N-terminal derivatization and fragmentation of neutral peptides via ion--molecule reactions with acylium ions: toward gas-phase Edman degradation? | 2001 Feb 14 |
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Synthesis of polycyclic structures by the Diels-Alder reaction of inner-outer-ring 1,3-bis(trimethylsilyloxy)dienes. | 2001 Feb 23 |
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Inhibition of ALDH3A1-catalyzed oxidation by chlorpropamide analogues. | 2001 Jan 30 |
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Interaction of human aldehyde dehydrogenase with aromatic substrates and ligands. | 2001 Jan 30 |
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Production of a cyanogenic secretion by a thyridid caterpillar (Calindoea trifascialis, Thyrididae, Lepidoptera). | 2001 Jul |
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Extremely high drug-reductase activity based on aldehyde oxidase in monkey liver. | 2001 Jul |
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4-(Benzoylindolizinyl)butyric acids; novel nonsteroidal inhibitors of steroid 5alpha-reductase. III. | 2001 Jul |
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Differential effects of naturally occurring isothiocyanates on the activities of cytochrome P450 2E1 and the mutant P450 2E1 T303A. | 2001 Jul 1 |
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Natural glycosides containing allopyranose from the passion fruit plant and circular dichroism of benzaldehyde cyanohydrin glycosides. | 2001 Jul 12 |
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Kinetics of the thiazolium ion-catalyzed benzoin condensation. | 2001 Jul 27 |
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Functional analysis of an olfactory receptor in Drosophila melanogaster. | 2001 Jul 31 |
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Electrophysiological and behavioral responses of female Helicoverpa armigera to compounds identified in flowers of African marigold, Tagetes erecta. | 2001 Jun |
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Tephrosia purpurea ameliorates N-diethylnitrosamine and potassium bromate-mediated renal oxidative stress and toxicity in Wistar rats. | 2001 Jun |
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Diastereoselective inter- and intramolecular pinacol coupling of aldehydes promoted by monomeric titanocene(II) complex Cp(2)TiPh. | 2001 Jun 1 |
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Biladienones from the photooxidation of a meso-gem-disubstituted phlorin: crystal and molecular structures of the 3N + O coordinated nickel(II) and copper(II) complexes. | 2001 Jun 18 |
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Unexpected catalyzed C=C bond cleavage by molecular oxygen promoted by a thiyl radical. | 2001 Jun 29 |
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Catalytic asymmetric organozinc additions to carbonyl compounds. | 2001 Mar |
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Headspace analysis of engine oil by gas chromatography/mass spectrometry. | 2001 Mar 15 |
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Regulation of distinct attractive and aversive mechanisms mediating benzaldehyde chemotaxis in Caenorhabditis elegans. | 2001 May-Jun |
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Incorporation of an aldehyde function in oligonucleotides. | 2001 May-Jun |
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Antibodies directed to drug epitopes to investigate the structure of drug-protein photoadducts. Recognition of a common photobound substructure in tiaprofenic acid/ketoprofen cross-photoreactivity. | 2001 Nov |
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On-road measurement of carbonyls in California light-duty vehicle emissions. | 2001 Nov 1 |
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Study of glycosylation with N-trichloroacetyl-D-glucosamine derivatives in the syntheses of the spacer-armed pentasaccharides sialyl lacto-N-neotetraose and sialyl lacto-N-tetraose, their fragments, and analogues. | 2001 Nov 1 |
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Histidine 90 function in 4-chlorobenzoyl-coenzyme a dehalogenase catalysis. | 2001 Nov 13 |
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Representation of odorants by receptor neuron input to the mouse olfactory bulb. | 2001 Nov 20 |
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Identification of sites in the second exomembrane loop and ninth transmembrane helix of the mammalian Na+/H+ exchanger important for drug recognition and cation translocation. | 2001 Nov 23 |
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Inhibition of ALDH3A1-catalyzed oxidation by chlorpropamide analogues. | 2001 Nov 28 |
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Volatile compounds from Salix spp. varieties differing in susceptibility to three willow beetle species. | 2001 Oct |
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Analysis of the S(2) subsite specificities of the recombinant cysteine proteinases CPB of Leishmania mexicana, and cruzain of Trypanosoma cruzi, using fluorescent substrates containing non-natural basic amino acids. | 2001 Oct |
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The [2+2]-photocycloaddition of aromatic aldehydes and ketones to 3,4-dihydro-2-pyridones: regioselectivity, diastereoselectivity, and reductive ring opening of the product oxetanes. | 2001 Oct 15 |
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Contributions of valine-292 in the nicotinamide binding site of liver alcohol dehydrogenase and dynamics to catalysis. | 2001 Oct 23 |
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Synthesis and receptor docking studies of N-substituted indole-2-carboxylic acid esters as a search for COX-2 selective enzyme inhibitors. | 2001 Sep |
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Aldehyde and monocyclic aromatic hydrocarbon mixing ratios at an urban site in Las Vegas, Nevada. | 2001 Sep |
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SPME/GC-MS characterization of volatiles associated with methamphetamine: toward the development of a pseudomethamphetamine training material. | 2001 Sep |
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The relationship between Taxol and (+)-discodermolide: synthetic analogs and modeling studies. | 2001 Sep |
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Ozone reaction with n-aldehydes (n=4-10), benzaldehyde, ethanol, isopropanol, and n-propanol adsorbed on a dual-bed graphitized carbon-carbon molecular sieve adsorbent cartridge. | 2001 Sep 21 |
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Synthetic routes to fluorenone, indenopyirdine, 4h-naphtho[2,1-b]pyrans and pyridine derivatives. | 2001 Sep-Oct |
Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:55:26 GMT 2025
by
admin
on
Mon Mar 31 17:55:26 GMT 2025
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Record UNII |
TA269SD04T
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Record Status |
Validated (UNII)
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Record Version |
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Classification Tree | Code System | Code | ||
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JECFA EVALUATION |
BENZALDEHYDE
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EPA PESTICIDE CODE |
8601
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EC SCIENTIFIC COMMITTEE ON CONSUMER SAFETY OPINION |
SCCS/1459/11
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DEA NO. |
8256
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TA269SD04T
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202-860-4
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7917
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17169
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100000129170
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TA269SD04T
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DTXSID8039241
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C2591
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m2330
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PRIMARY | Merck Index | ||
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1314334
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CHEMBL15972
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SUB37594
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240
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1050905
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100-52-7
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388
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C45678
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CONCEPT | Industrial Aid | ||
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321
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BENZALDEHYDE
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C032175
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PARENT -> CONSTITUENT ALWAYS PRESENT |
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PARENT -> CONSTITUENT ALWAYS PRESENT |
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PARENT -> CONSTITUENT ALWAYS PRESENT |
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Related Record | Type | Details | ||
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PARENT -> IMPURITY |
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PARENT -> IMPURITY |
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PARENT -> IMPURITY |
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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PARENT -> IMPURITY |
impurity C: not more than twice the area of the corresponding peak in the chromatogram obtained with reference solution (a) (0.5 per cent); if the area of the peak due to impurity C in the chromatogram obtained with the test solution is greater than the area of the corresponding peak in the chromatogram obtained with reference solution (a) (0.25 per cent), dilute the test solution to obtain an area equal to or smaller than the area of the peak in the chromatogram obtained with reference solution (a); calculate the content of impurity C taking into account the dilution factor;
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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PARENT -> IMPURITY |
0.05% FOR PARENTERAL
CHROMATOGRAPHIC PURITY (HPLC/UV)
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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ACTIVE MOIETY |
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