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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

Approval Year

Name Type Language
3-METHYL-4-PHENYLBUTYRALDEHYDE
Systematic Name English
.BETA.-METHYLBENZENEBUTANAL
Preferred Name English
BENZENEBUTANAL, .BETA.-METHYL-
Systematic Name English
BUTYRALDEHYDE, 3-METHYL-4-PHENYL-
Systematic Name English
Code System Code Type Description
CAS
13881-14-6
Created by admin on Mon Mar 31 22:16:01 GMT 2025 , Edited by admin on Mon Mar 31 22:16:01 GMT 2025
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FDA UNII
T30W53T452
Created by admin on Mon Mar 31 22:16:01 GMT 2025 , Edited by admin on Mon Mar 31 22:16:01 GMT 2025
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EPA CompTox
DTXSID50930222
Created by admin on Mon Mar 31 22:16:01 GMT 2025 , Edited by admin on Mon Mar 31 22:16:01 GMT 2025
PRIMARY
PUBCHEM
117169
Created by admin on Mon Mar 31 22:16:01 GMT 2025 , Edited by admin on Mon Mar 31 22:16:01 GMT 2025
PRIMARY
ECHA (EC/EINECS)
237-647-5
Created by admin on Mon Mar 31 22:16:01 GMT 2025 , Edited by admin on Mon Mar 31 22:16:01 GMT 2025
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