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Details

Stereochemistry RACEMIC
Molecular Formula C12H16O
Molecular Weight 176.2548
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYLMETHYLPENTANAL

SMILES

CC(CCC1=CC=CC=C1)CC=O

InChI

InChIKey=DFJMIMVMOIFPQG-UHFFFAOYSA-N
InChI=1S/C12H16O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,10-11H,7-9H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H16O
Molecular Weight 176.2548
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:02:23 GMT 2025
Edited
by admin
on Mon Mar 31 21:02:23 GMT 2025
Record UNII
00RZ3F0O1X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENYLMETHYLPENTANAL
INCI  
INCI  
Official Name English
MEFANAL
Preferred Name English
3-METHYL-5-PHENYL-1-PENTANAL
Systematic Name English
3-METHYL-5-PHENYLPENTANAL
Systematic Name English
PHENYLMETHYLPENTANAL, (±)-
Systematic Name English
MEFRANAL
Brand Name English
BENZENEPENTANAL, .BETA.-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
108313
Created by admin on Mon Mar 31 21:02:23 GMT 2025 , Edited by admin on Mon Mar 31 21:02:23 GMT 2025
PRIMARY
FDA UNII
00RZ3F0O1X
Created by admin on Mon Mar 31 21:02:23 GMT 2025 , Edited by admin on Mon Mar 31 21:02:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID9052212
Created by admin on Mon Mar 31 21:02:23 GMT 2025 , Edited by admin on Mon Mar 31 21:02:23 GMT 2025
PRIMARY
CAS
55066-49-4
Created by admin on Mon Mar 31 21:02:23 GMT 2025 , Edited by admin on Mon Mar 31 21:02:23 GMT 2025
PRIMARY