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

Details

Stereochemistry RACEMIC
Molecular Formula C11H14O
Molecular Weight 162.2283
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-3-(O-TOLYL)PROPANAL

SMILES

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

InChI

InChIKey=PFTIYHYMOUKOHA-UHFFFAOYSA-N
InChI=1S/C11H14O/c1-9(8-12)7-11-6-4-3-5-10(11)2/h3-6,8-9H,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H14O
Molecular Weight 162.2283
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 21:30:22 GMT 2023
Edited
by admin
on Fri Dec 15 21:30:22 GMT 2023
Record UNII
72S4719NJS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYL-3-(O-TOLYL)PROPANAL
Common Name English
BENZENEPROPANAL, .ALPHA.,2-DIMETHYL-
Systematic Name English
2-METHYL-3-(O-TOLYL)PROPIONALDEHYDE
Common Name English
2-METHYL-3-(O-TOLYL)PROPANAL, (±)-
Common Name English
(±)-2-METHYL-3-(O-TOLYL)PROPANAL
Common Name English
FEMA NO. 2748, O-
Code English
Code System Code Type Description
ECHA (EC/EINECS)
261-016-3
Created by admin on Fri Dec 15 21:30:22 GMT 2023 , Edited by admin on Fri Dec 15 21:30:22 GMT 2023
PRIMARY
CAS
57918-84-0
Created by admin on Fri Dec 15 21:30:22 GMT 2023 , Edited by admin on Fri Dec 15 21:30:22 GMT 2023
PRIMARY
FDA UNII
72S4719NJS
Created by admin on Fri Dec 15 21:30:22 GMT 2023 , Edited by admin on Fri Dec 15 21:30:22 GMT 2023
PRIMARY
PUBCHEM
93844
Created by admin on Fri Dec 15 21:30:22 GMT 2023 , Edited by admin on Fri Dec 15 21:30:22 GMT 2023
PRIMARY