U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H8O
Molecular Weight 120.1485
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of M-TOLUALDEHYDE

SMILES

CC1=CC(C=O)=CC=C1

InChI

InChIKey=OVWYEQOVUDKZNU-UHFFFAOYSA-N
InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3

HIDE SMILES / InChI

Molecular Formula C8H8O
Molecular Weight 120.1485
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Impact of molecular conformation on barriers to internal methyl rotation: the rotational spectrum of m-methylbenzaldehyde.
2010-11-25
Role of spacer in single- or two-step FRET: studies in the presence of two connected cryptands with properly chosen fluorophores.
2010-05-07
Determination of gaseous carbonyl compounds by their pentafluorophenyl hydrazones with gas chromatography/mass spectrometry.
2009-03-02
Saturation transfer difference NMR studies on substrates and inhibitors of succinic semialdehyde dehydrogenases.
2008-08-01
2-Methyl-3-(3-methyl-phen-yl)acrylic acid.
2008-07-05
Substrate specificity of guinea pig liver aldehyde oxidase and bovine milk xanthine oxidase for methyl- and nitrobenzaldehydes.
2006-05-24
An easy access to 7-methyl-2-naphthalenecarbonitrile.
2005-04
Inhibitory effects on mushroom tyrosinase by some alkylbenzaldehydes.
2003-12
Inhibition of rat respiratory-tract cytochrome P-450 isozymes following inhalation of m-Xylene: possible role of metabolites.
2003-06-27
Airborne carbonyls from motor vehicle emissions in two highway tunnels.
2002-01
On-road emissions of carbonyls from light-duty and heavy-duty vehicles.
2001-01-01
Purification and characterization of benzaldehyde dehydrogenase I from Acinetobacter calcoaceticus.
1989-11-01
Benzylalcohol dehydrogenase, a new alcohol dehydrogenase from Pseudomonas sp.
1967-05-16
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:54:39 GMT 2025
Edited
by admin
on Mon Mar 31 19:54:39 GMT 2025
Record UNII
OWH6650C4Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
M-TOLUALDEHYDE
Systematic Name English
3-METHYLBENZALDEHYDE
HSDB  
Preferred Name English
BENZALDEHYDE, 3-METHYL-
Systematic Name English
3-METHYLBENZALDEHYDE [HSDB]
Common Name English
NSC-1244
Code English
M-TOLYL ALDEHYDE
Common Name English
3-METHYLPHENYLCARBOXALDEHYDE
Common Name English
M-METHYLBENZALDEHYDE
Systematic Name English
TOLUALDEHYDE,M-
Common Name English
FEMA NO. 3068, M-
Code English
TOLUALDEHYDE, M-
Systematic Name English
M-FORMYLTOLUENE
Systematic Name English
3-TOLUALDEHYDE
Systematic Name English
NSC-89859
Code English
Code System Code Type Description
CAS
620-23-5
Created by admin on Mon Mar 31 19:54:39 GMT 2025 , Edited by admin on Mon Mar 31 19:54:39 GMT 2025
PRIMARY
NSC
89859
Created by admin on Mon Mar 31 19:54:39 GMT 2025 , Edited by admin on Mon Mar 31 19:54:39 GMT 2025
PRIMARY
ECHA (EC/EINECS)
210-632-0
Created by admin on Mon Mar 31 19:54:39 GMT 2025 , Edited by admin on Mon Mar 31 19:54:39 GMT 2025
PRIMARY
NSC
1244
Created by admin on Mon Mar 31 19:54:39 GMT 2025 , Edited by admin on Mon Mar 31 19:54:39 GMT 2025
PRIMARY
PUBCHEM
12105
Created by admin on Mon Mar 31 19:54:39 GMT 2025 , Edited by admin on Mon Mar 31 19:54:39 GMT 2025
PRIMARY
MESH
C093383
Created by admin on Mon Mar 31 19:54:39 GMT 2025 , Edited by admin on Mon Mar 31 19:54:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID6060717
Created by admin on Mon Mar 31 19:54:39 GMT 2025 , Edited by admin on Mon Mar 31 19:54:39 GMT 2025
PRIMARY
CHEBI
28476
Created by admin on Mon Mar 31 19:54:39 GMT 2025 , Edited by admin on Mon Mar 31 19:54:39 GMT 2025
PRIMARY
FDA UNII
OWH6650C4Y
Created by admin on Mon Mar 31 19:54:39 GMT 2025 , Edited by admin on Mon Mar 31 19:54:39 GMT 2025
PRIMARY
HSDB
7691
Created by admin on Mon Mar 31 19:54:39 GMT 2025 , Edited by admin on Mon Mar 31 19:54:39 GMT 2025
PRIMARY