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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H10O
Molecular Weight 134.1751
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DIMETHYLBENZALDEHYDE

SMILES

CC1=CC=C(C=O)C=C1C

InChI

InChIKey=POQJHLBMLVTHAU-UHFFFAOYSA-N
InChI=1S/C9H10O/c1-7-3-4-9(6-10)5-8(7)2/h3-6H,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Vibrational spectroscopy investigation using ab initio and density functional theory analysis on the structure of 3,4-dimethylbenzaldehyde.
2007 Nov
Patents

Patents

05998477
1
07598249
3
08188082
2
Name Type Language
3,4-DIMETHYLBENZALDEHYDE
Systematic Name English
BENZALDEHYDE, 3,4-DIMETHYL-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
227-770-2
Created by admin on Fri Dec 15 19:46:37 GMT 2023 , Edited by admin on Fri Dec 15 19:46:37 GMT 2023
PRIMARY
PUBCHEM
22278
Created by admin on Fri Dec 15 19:46:37 GMT 2023 , Edited by admin on Fri Dec 15 19:46:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID2041626
Created by admin on Fri Dec 15 19:46:37 GMT 2023 , Edited by admin on Fri Dec 15 19:46:37 GMT 2023
PRIMARY
CAS
5973-71-7
Created by admin on Fri Dec 15 19:46:37 GMT 2023 , Edited by admin on Fri Dec 15 19:46:37 GMT 2023
PRIMARY
MESH
C476925
Created by admin on Fri Dec 15 19:46:37 GMT 2023 , Edited by admin on Fri Dec 15 19:46:37 GMT 2023
PRIMARY
FDA UNII
16G1J12ARB
Created by admin on Fri Dec 15 19:46:37 GMT 2023 , Edited by admin on Fri Dec 15 19:46:37 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966