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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 3-METHYL-4-PHENYLBUTYRALDEHYDE

SMILES

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

InChI

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

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 Sat Dec 16 08:42:51 GMT 2023
Edited
by admin
on Sat Dec 16 08:42:51 GMT 2023
Record UNII
T30W53T452
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-4-PHENYLBUTYRALDEHYDE
Systematic Name English
BENZENEBUTANAL, .BETA.-METHYL-
Systematic Name English
BUTYRALDEHYDE, 3-METHYL-4-PHENYL-
Systematic Name English
.BETA.-METHYLBENZENEBUTANAL
Systematic Name English
Code System Code Type Description
CAS
13881-14-6
Created by admin on Sat Dec 16 08:42:51 GMT 2023 , Edited by admin on Sat Dec 16 08:42:51 GMT 2023
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FDA UNII
T30W53T452
Created by admin on Sat Dec 16 08:42:51 GMT 2023 , Edited by admin on Sat Dec 16 08:42:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID50930222
Created by admin on Sat Dec 16 08:42:51 GMT 2023 , Edited by admin on Sat Dec 16 08:42:51 GMT 2023
PRIMARY
PUBCHEM
117169
Created by admin on Sat Dec 16 08:42:51 GMT 2023 , Edited by admin on Sat Dec 16 08:42:51 GMT 2023
PRIMARY
ECHA (EC/EINECS)
237-647-5
Created by admin on Sat Dec 16 08:42:51 GMT 2023 , Edited by admin on Sat Dec 16 08:42:51 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE