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 |
---|---|---|
Binding and incorporation of 4-trans-(N,N-dimethylamino) cinnamaldehyde by aldehyde dehydrogenase. | 1999 Aug |
|
Inactivation of aldophosphamide by human aldehyde dehydrogenase isozyme 3. | 2000 Aug 1 |
|
Rat liver constitutive and phenobarbital-inducible cytosolic aldehyde dehydrogenases are highly homologous proteins that function as distinct isozymes. | 2000 Sep 12 |
|
Facile synthesis of (R)-4-mercaptopyrrolidine-2-thione from L-aspartic acid. | 2001 Apr |
|
Shifting the biotransformation pathways of L-phenylalanine into benzaldehyde by Trametes suaveolens CBS 334.85 using HP20 resin. | 2001 Apr |
|
Amine oxidase-like activity of polyphenols. Mechanism and properties. | 2001 Apr |
|
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 |
|
The application of chiral aminonaphthols in the enantioselective addition of diethylzinc to aryl aldehydes. | 2001 Aug 23 |
|
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 |
|
Non-covalent binding of benzaldehyde to beta-lactoglobulin: characterisation by spectrofluorimetry and electrospray ionisation mass-spectrometry. | 2001 Feb |
|
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 |
|
Lupeol, a triterpene, inhibits early responses of tumor promotion induced by benzoyl peroxide in murine skin. | 2001 Feb |
|
Trianthenol: an antifungal tetraterpenoid from Trianthema portulacastrum (Aizoaceae). | 2001 Jan |
|
10-Deacetyl baccatin III dimethyl sulfoxide disolvate. | 2001 Jan |
|
Effects of benzyl isothiocyanate on rat and human cytochromes P450: identification of metabolites formed by P450 2B1. | 2001 Jan |
|
On-road emissions of carbonyls from light-duty and heavy-duty vehicles. | 2001 Jan 1 |
|
Anomalous Zemplén deacylation reactions of alpha- and beta-D-mannopyranoside derivatives. | 2001 Jan 30 |
|
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 |
|
4-(Benzoylindolizinyl)butyric acids; novel nonsteroidal inhibitors of steroid 5alpha-reductase. III. | 2001 Jul |
|
Differential effects of naturally occurring isothiocyanates on the activities of cytochrome P450 2E1 and the mutant P450 2E1 T303A. | 2001 Jul 1 |
|
Diastereoselective inter- and intramolecular pinacol coupling of aldehydes promoted by monomeric titanocene(II) complex Cp(2)TiPh. | 2001 Jun 1 |
|
High-performance liquid chromatographic method development and validation for the simultaneous quantitation of naproxen sodium and pseudoephedrine hydrochloride impurities. | 2001 Mar |
|
Crystal structure analysis and chiral recognition study of Delta-[Ru(bpy)2(py)2][(+)-O,O'-dibenzoylD-tartrate].12H2O and Lambda-[Ru(bpy)2(py)2][(-)-O,O'-dibenzoyl-L-tartrate].12H2O. | 2001 Mar 12 |
|
Headspace analysis of engine oil by gas chromatography/mass spectrometry. | 2001 Mar 15 |
|
Reactions of PhSCH(2)Li and NCCH(2)Li with benzaldehyde and benzophenone: when does the mechanism change from ET to polar? | 2001 Mar 23 |
|
Regulation of distinct attractive and aversive mechanisms mediating benzaldehyde chemotaxis in Caenorhabditis elegans. | 2001 May-Jun |
|
Hydrogen peroxide triggers the formation of a disulfide dimer of muscle acylphosphatase and modifies some functional properties of the enzyme. | 2001 Nov 9 |
|
Synthesis and receptor docking studies of N-substituted indole-2-carboxylic acid esters as a search for COX-2 selective enzyme inhibitors. | 2001 Sep |
|
Conversion of amino acids into aroma compounds by cell-free extracts of Lactobacillus helveticus. | 2001 Sep |
Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Jul 05 22:52:45 UTC 2023
by
admin
on
Wed Jul 05 22:52:45 UTC 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 Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
||
|
EPA PESTICIDE CODE |
8601
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
||
|
EC SCIENTIFIC COMMITTEE ON CONSUMER SAFETY OPINION |
SCCS/1459/11
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
||
|
DEA NO. |
8256
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
TA269SD04T
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | |||
|
202-860-4
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | |||
|
7917
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | |||
|
17169
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | |||
|
100000129170
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | |||
|
TA269SD04T
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | |||
|
DTXSID8039241
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | |||
|
C2591
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | |||
|
M2330
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | Merck Index | ||
|
1314334
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | RxNorm | ||
|
CHEMBL15972
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | |||
|
SUB37594
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | |||
|
240
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | |||
|
1050905
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | |||
|
100-52-7
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | |||
|
388
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | |||
|
C45678
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
CONCEPT | Industrial Aid | ||
|
BENZALDEHYDE
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY | |||
|
C032175
Created by
admin on Wed Jul 05 22:52:46 UTC 2023 , Edited by admin on Wed Jul 05 22:52:46 UTC 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT->PRECURSOR |
|
||
|
PARENT -> CONSTITUENT ALWAYS PRESENT |
|
||
|
PARENT -> CONSTITUENT ALWAYS PRESENT |
|
||
|
PARENT -> CONSTITUENT ALWAYS PRESENT | |||
|
PARENT->PRECURSOR |
|
Related Record | Type | Details | ||
---|---|---|---|---|
|
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 |
|