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
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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Michaelis-Menten analysis of bovine plasma amine oxidase by capillary electrophoresis using electrophoretically mediated microanalysis in a partially filled capillary. | 2001 Apr |
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Shifting the biotransformation pathways of L-phenylalanine into benzaldehyde by Trametes suaveolens CBS 334.85 using HP20 resin. | 2001 Apr |
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Amine oxidase-like activity of polyphenols. Mechanism and properties. | 2001 Apr |
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Competitive inhibition of mushroom tyrosinase by 4-substituted benzaldehydes. | 2001 Aug |
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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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The application of chiral aminonaphthols in the enantioselective addition of diethylzinc to aryl aldehydes. | 2001 Aug 23 |
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Reinvestigation of the reactions of camphorketene: structural evidence for pseudopericyclic pathways. | 2001 Aug 24 |
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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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Synthesis, antiretroviral and antioxidant evaluation of a series of new benzo[b]furan derivatives. | 2001 Feb |
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Evaluation of VOC measurments in the EXPOLIS study. Air Pollution Exposure Distributions within Adult Urban Urban Populations in Europe. | 2001 Feb |
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N-Acyl-1,2,3,4a,5,10b-hexahydro-[1]benzopyrano-[3,4-b][1,4]oxazine-9-carbonitriles as bladder-selective potassium channel openers. | 2001 Feb |
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Lupeol, a triterpene, inhibits early responses of tumor promotion induced by benzoyl peroxide in murine skin. | 2001 Feb |
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Therapeutic studies with a new combination benzoyl peroxide/clindamycin topical gel in acne vulgaris. | 2001 Feb |
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Metabolic engineering of bacteria for environmental applications: construction of Pseudomonas strains for biodegradation of 2-chlorotoluene. | 2001 Feb 13 |
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Characterization of a model compound for the lysine tyrosylquinone cofactor of lysyl oxidase. | 2001 Feb 16 |
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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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Trianthenol: an antifungal tetraterpenoid from Trianthema portulacastrum (Aizoaceae). | 2001 Jan |
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10-Deacetyl baccatin III dimethyl sulfoxide disolvate. | 2001 Jan |
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Catalytic turnover of substrate benzylamines by the quinone-dependent plasma amine oxidase leads to H2O2-dependent inactivation: evidence for generation of a cofactor-derived benzoxazole. | 2001 Jan 23 |
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Selective protection by stably transfected human ALDH3A1 (but not human ALDH1A1) against toxicity of aliphatic aldehydes in V79 cells. | 2001 Jan 30 |
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Inhibition of ALDH3A1-catalyzed oxidation by chlorpropamide analogues. | 2001 Jan 30 |
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Anomalous Zemplén deacylation reactions of alpha- and beta-D-mannopyranoside derivatives. | 2001 Jan 30 |
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Syntheses and reactions of 5-O-acetyl-1,2-anhydro-3-O-benzyl-alpha-D-ribofuranose and beta-D-lyxofuranose, 5-O-acetyl-1,2-anhydro-3,6-di-O-benzyl- and 1,2-anhydro-5,6-di-O-benzoyl-3-O-benzyl-beta-D-mannofuranose, and 6-O-acetyl-1,2-anhydro-3,4-di-O-benzyl-alpha-D-glucopyranose and -beta-D-talopyranose. | 2001 Jan 30 |
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The efficacy and safety of a combination benzoyl peroxide/clindamycin topical gel compared with benzoyl peroxide alone and a benzoyl peroxide/erythromycin combination product. | 2001 Jan-Feb |
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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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Chemical composition and behavioral responses of the marine insect Halobates hawaiiensis (Heteroptera: Gerridae). | 2001 Jul-Aug |
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Mutations affecting the cAMP transduction pathway modify olfaction in Drosophila. | 2001 Jun |
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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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High-performance liquid chromatographic method development and validation for the simultaneous quantitation of naproxen sodium and pseudoephedrine hydrochloride impurities. | 2001 Mar |
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Prediction of partition coefficient and toxicity for benzaldehyde compounds by their capacity factors and various molecular descriptors. | 2001 Mar |
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O2 dependence of K+ transport in sickle cells: the effect of different cell populations and the substituted benzaldehyde 12C79. | 2001 Mar |
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Headspace analysis of engine oil by gas chromatography/mass spectrometry. | 2001 Mar 15 |
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Nemorosone, the major constituent of floral resins of Clusia rosea. | 2001 May |
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Representation of odorants by receptor neuron input to the mouse olfactory bulb. | 2001 Nov 20 |
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Inhibition of ALDH3A1-catalyzed oxidation by chlorpropamide analogues. | 2001 Nov 28 |
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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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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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Conversion of amino acids into aroma compounds by cell-free extracts of Lactobacillus helveticus. | 2001 Sep |
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EMDee: an enzymatic method for determining enantiomeric excess. | 2001 Sep 19 |
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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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Solution structures of the mixed aggregates derived from lithium acetylides and a camphor-derived amino alkoxide. | 2001 Sep 21 |
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Synthetic routes to fluorenone, indenopyirdine, 4h-naphtho[2,1-b]pyrans and pyridine derivatives. | 2001 Sep-Oct |
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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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DTXSID8039241
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C2591
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m2330
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1314334
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CHEMBL15972
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C45678
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CONCEPT | Industrial Aid | ||
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BENZALDEHYDE
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C032175
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ACTIVE MOIETY