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Details

Stereochemistry ACHIRAL
Molecular Formula C11H16
Molecular Weight 148.2447
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPENTYLBENZENE

SMILES

CC(C)CCC1=CC=CC=C1

InChI

InChIKey=XNXIYYFOYIUJIW-UHFFFAOYSA-N
InChI=1S/C11H16/c1-10(2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H16
Molecular Weight 148.2447
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 Tue Apr 01 19:27:41 GMT 2025
Edited
by admin
on Tue Apr 01 19:27:41 GMT 2025
Record UNII
D6FF9OY109
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPENTYLBENZENE
Systematic Name English
NSC-62142
Preferred Name English
BENZENE, (3-METHYLBUTYL)-
Systematic Name English
(3-METHYLBUTYL)BENZENE
Systematic Name English
1-PHENYL-3-METHYLBUTANE
Systematic Name English
2-METHYL-4-PHENYLBUTANE
Systematic Name English
Code System Code Type Description
CAS
2049-94-7
Created by admin on Tue Apr 01 19:27:41 GMT 2025 , Edited by admin on Tue Apr 01 19:27:41 GMT 2025
PRIMARY
FDA UNII
D6FF9OY109
Created by admin on Tue Apr 01 19:27:41 GMT 2025 , Edited by admin on Tue Apr 01 19:27:41 GMT 2025
PRIMARY
ECHA (EC/EINECS)
218-075-5
Created by admin on Tue Apr 01 19:27:41 GMT 2025 , Edited by admin on Tue Apr 01 19:27:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID30174465
Created by admin on Tue Apr 01 19:27:41 GMT 2025 , Edited by admin on Tue Apr 01 19:27:41 GMT 2025
PRIMARY
NSC
62142
Created by admin on Tue Apr 01 19:27:41 GMT 2025 , Edited by admin on Tue Apr 01 19:27:41 GMT 2025
PRIMARY
PUBCHEM
16294
Created by admin on Tue Apr 01 19:27:41 GMT 2025 , Edited by admin on Tue Apr 01 19:27:41 GMT 2025
PRIMARY