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Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O
Molecular Weight 176.2548
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(3-Methylbutyl)benzaldehyde

SMILES

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

InChI

InChIKey=HWVKHXKLEJRRJU-UHFFFAOYSA-N
InChI=1S/C12H16O/c1-10(2)3-4-11-5-7-12(9-13)8-6-11/h5-10H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H16O
Molecular Weight 176.2548
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:12:22 GMT 2023
Edited
by admin
on Sat Dec 16 12:12:22 GMT 2023
Record UNII
K76CVR9WZZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(3-Methylbutyl)benzaldehyde
Systematic Name English
p-(Isopentyl)benzaldehyde
Common Name English
Benzaldehyde, 4-(3-methylbutyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
3020040
Created by admin on Sat Dec 16 12:12:22 GMT 2023 , Edited by admin on Sat Dec 16 12:12:22 GMT 2023
PRIMARY
CAS
84682-18-8
Created by admin on Sat Dec 16 12:12:22 GMT 2023 , Edited by admin on Sat Dec 16 12:12:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID90233668
Created by admin on Sat Dec 16 12:12:22 GMT 2023 , Edited by admin on Sat Dec 16 12:12:22 GMT 2023
PRIMARY
ECHA (EC/EINECS)
283-579-4
Created by admin on Sat Dec 16 12:12:22 GMT 2023 , Edited by admin on Sat Dec 16 12:12:22 GMT 2023
PRIMARY
FDA UNII
K76CVR9WZZ
Created by admin on Sat Dec 16 12:12:22 GMT 2023 , Edited by admin on Sat Dec 16 12:12:22 GMT 2023
PRIMARY