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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-4-PHENYLBUTYRALDEHYDE

SMILES

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

InChI

InChIKey=RLFLIPVJQTWXKR-UHFFFAOYSA-N
InChI=1S/C11H14O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3

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

Substance Class Chemical
Created
by admin
on Fri Dec 15 22:25:24 GMT 2023
Edited
by admin
on Fri Dec 15 22:25:24 GMT 2023
Record UNII
1E564V2EQV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYL-4-PHENYLBUTYRALDEHYDE
FHFI  
Systematic Name English
2-METHYL-4-PHENYLBUTYRALDEHYDE [FHFI]
Common Name English
2-METHYL-4-PHENYLBUTANAL
Systematic Name English
BENZENEBUTANAL, .ALPHA.-METHYL-
Systematic Name English
(±)-2-METHYL-4-PHENYLBUTYRALDEHYDE
Systematic Name English
FEMA NO. 2737
Code English
2-METHYL-4-PHENYLBUTYRALDEHYDE, (±)-
Systematic Name English
BUTYRALDEHYDE, 2-METHYL-4-PHENYL-
Systematic Name English
.ALPHA.-METHYLBENZENEBUTANAL
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 2-METHYL-4-PHENYLBUTYRALDEHYDE
Created by admin on Fri Dec 15 22:25:24 GMT 2023 , Edited by admin on Fri Dec 15 22:25:24 GMT 2023
Code System Code Type Description
PUBCHEM
62911
Created by admin on Fri Dec 15 22:25:24 GMT 2023 , Edited by admin on Fri Dec 15 22:25:24 GMT 2023
PRIMARY
CAS
40654-82-8
Created by admin on Fri Dec 15 22:25:24 GMT 2023 , Edited by admin on Fri Dec 15 22:25:24 GMT 2023
PRIMARY
JECFA MONOGRAPH
1450
Created by admin on Fri Dec 15 22:25:24 GMT 2023 , Edited by admin on Fri Dec 15 22:25:24 GMT 2023
PRIMARY
ECHA (EC/EINECS)
255-022-5
Created by admin on Fri Dec 15 22:25:24 GMT 2023 , Edited by admin on Fri Dec 15 22:25:24 GMT 2023
PRIMARY
FDA UNII
1E564V2EQV
Created by admin on Fri Dec 15 22:25:24 GMT 2023 , Edited by admin on Fri Dec 15 22:25:24 GMT 2023
PRIMARY
EPA CompTox
DTXSID80866005
Created by admin on Fri Dec 15 22:25:24 GMT 2023 , Edited by admin on Fri Dec 15 22:25:24 GMT 2023
PRIMARY