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 |
---|---|---|
Individual variation in hepatic aldehyde oxidase activity. | 2001 Apr |
|
Fragrance volatiles of developing and senescing carnation flowers. | 2001 Apr |
|
PNA synthesis using a novel Boc/acyl protecting group strategy. | 2001 Aug |
|
Determination of aldehydes and ketones in air samples using cryotrapping sampling. | 2001 Aug |
|
Catalyzed asymmetric dialkylzinc addition to benzaldehyde in the presence of new chiral ligands--delta-(1-phenethyl)aminoalcohols. | 2001 Aug |
|
Synthesis, structure, and redox and catalytic properties of a new family of ruthenium complexes containing the tridentate bpea ligand. | 2001 Aug 13 |
|
Odor exposure causes central adaptation and morphological changes in selected olfactory glomeruli in Drosophila. | 2001 Aug 15 |
|
Increasing the number of synapses modifies olfactory perception in Drosophila. | 2001 Aug 15 |
|
Solution structures and reactivities of the mixed aggregates derived from n-butyllithium and vicinal amino alkoxides. | 2001 Aug 22 |
|
The application of chiral aminonaphthols in the enantioselective addition of diethylzinc to aryl aldehydes. | 2001 Aug 23 |
|
Reinvestigation of the reactions of camphorketene: structural evidence for pseudopericyclic pathways. | 2001 Aug 24 |
|
Immobilization of chiral ligands on polymer fibers by electron beam induced grafting and applications in enantioselective catalysis. | 2001 Aug 9 |
|
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 |
|
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 |
|
On-road emissions of carbonyls from light-duty and heavy-duty vehicles. | 2001 Jan 1 |
|
Production of a cyanogenic secretion by a thyridid caterpillar (Calindoea trifascialis, Thyrididae, Lepidoptera). | 2001 Jul |
|
Determination of carbonyl compounds in air by electrochromatography. | 2001 Jul |
|
Extremely high drug-reductase activity based on aldehyde oxidase in monkey liver. | 2001 Jul |
|
Kinetics of the thiazolium ion-catalyzed benzoin condensation. | 2001 Jul 27 |
|
Functional analysis of an olfactory receptor in Drosophila melanogaster. | 2001 Jul 31 |
|
Mutations affecting the cAMP transduction pathway modify olfaction in Drosophila. | 2001 Jun |
|
Electrophysiological and behavioral responses of female Helicoverpa armigera to compounds identified in flowers of African marigold, Tagetes erecta. | 2001 Jun |
|
Diastereoselective inter- and intramolecular pinacol coupling of aldehydes promoted by monomeric titanocene(II) complex Cp(2)TiPh. | 2001 Jun 1 |
|
Catalytic asymmetric organozinc additions to carbonyl compounds. | 2001 Mar |
|
Cornified envelope formation by anthralin, simple analogues, and related anthracenones. | 2001 Mar |
|
[The sonochemical-degradation mechanism of toluene in aqueous solution]. | 2001 May |
|
Use of fluorobenzoyl protective groups in synthesis of glycopeptides: beta-elimination of O-linked carbohydrates is suppressed. | 2001 May 4 |
|
Incorporation of an aldehyde function in oligonucleotides. | 2001 May-Jun |
|
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 |
|
On-road measurement of carbonyls in California light-duty vehicle emissions. | 2001 Nov 1 |
|
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 |
|
Histidine 90 function in 4-chlorobenzoyl-coenzyme a dehalogenase catalysis. | 2001 Nov 13 |
|
Representation of odorants by receptor neuron input to the mouse olfactory bulb. | 2001 Nov 20 |
|
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 |
|
Inhibition of ALDH3A1-catalyzed oxidation by chlorpropamide analogues. | 2001 Nov 28 |
|
Hydrogen peroxide triggers the formation of a disulfide dimer of muscle acylphosphatase and modifies some functional properties of the enzyme. | 2001 Nov 9 |
|
Volatile compounds from Salix spp. varieties differing in susceptibility to three willow beetle species. | 2001 Oct |
|
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 |
|
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 |
|
Contributions of valine-292 in the nicotinamide binding site of liver alcohol dehydrogenase and dynamics to catalysis. | 2001 Oct 23 |
|
Synthesis and receptor docking studies of N-substituted indole-2-carboxylic acid esters as a search for COX-2 selective enzyme inhibitors. | 2001 Sep |
|
Aldehyde and monocyclic aromatic hydrocarbon mixing ratios at an urban site in Las Vegas, Nevada. | 2001 Sep |
|
SPME/GC-MS characterization of volatiles associated with methamphetamine: toward the development of a pseudomethamphetamine training material. | 2001 Sep |
|
The relationship between Taxol and (+)-discodermolide: synthetic analogs and modeling studies. | 2001 Sep |
|
Quantitative structure-activity studies of insect growth regulators: XVIII. Effects of substituents on the aromatic moiety of dibenzoylhydrazines on larvicidal activity against the Colorado potato beetle Leptinotarsa decemlineata. | 2001 Sep |
|
Conversion of amino acids into aroma compounds by cell-free extracts of Lactobacillus helveticus. | 2001 Sep |
|
EMDee: an enzymatic method for determining enantiomeric excess. | 2001 Sep 19 |
|
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 |
|
Solution structures of the mixed aggregates derived from lithium acetylides and a camphor-derived amino alkoxide. | 2001 Sep 21 |
|
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
Fri Dec 15 15:22:10 GMT 2023
by
admin
on
Fri Dec 15 15:22:10 GMT 2023
|
Record UNII |
TA269SD04T
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Official Name | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English |
Classification Tree | Code System | Code | ||
---|---|---|---|---|
|
JECFA EVALUATION |
BENZALDEHYDE
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
||
|
EPA PESTICIDE CODE |
8601
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
||
|
EC SCIENTIFIC COMMITTEE ON CONSUMER SAFETY OPINION |
SCCS/1459/11
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
||
|
DEA NO. |
8256
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
TA269SD04T
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY | |||
|
202-860-4
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY | |||
|
7917
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY | |||
|
17169
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY | |||
|
100000129170
Created by
admin on Fri Dec 15 15:22:11 GMT 2023 , Edited by admin on Fri Dec 15 15:22:11 GMT 2023
|
PRIMARY | |||
|
TA269SD04T
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY | |||
|
DTXSID8039241
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY | |||
|
C2591
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY | |||
|
m2330
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY | Merck Index | ||
|
1314334
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY | RxNorm | ||
|
CHEMBL15972
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY | |||
|
SUB37594
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY | |||
|
240
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY | |||
|
1050905
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY | |||
|
100-52-7
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY | |||
|
388
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY | |||
|
C45678
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
CONCEPT | Industrial Aid | ||
|
321
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY | |||
|
BENZALDEHYDE
Created by
admin on Fri Dec 15 15:22:11 GMT 2023 , Edited by admin on Fri Dec 15 15:22:11 GMT 2023
|
PRIMARY | |||
|
C032175
Created by
admin on Fri Dec 15 15:22:10 GMT 2023 , Edited by admin on Fri Dec 15 15:22:10 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> CONSTITUENT ALWAYS PRESENT |
|
||
|
PARENT -> CONSTITUENT ALWAYS PRESENT |
|
||
|
PARENT -> CONSTITUENT ALWAYS PRESENT |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> IMPURITY |
|
||
|
PARENT -> IMPURITY | |||
|
PARENT -> IMPURITY |
|
||
|
PARENT -> IMPURITY |
|
||
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
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
|
||
|
PARENT -> IMPURITY |
0.05% FOR PARENTERAL
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
|
||
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
|
||
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |
|