U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C10H12O
Molecular Weight 148.2017
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3,4-EPOXYBUTYL)BENZENE

SMILES

C(CC1=CC=CC=C1)C2CO2

InChI

InChIKey=JVGAGAVQROERFI-UHFFFAOYSA-N
InChI=1S/C10H12O/c1-2-4-9(5-3-1)6-7-10-8-11-10/h1-5,10H,6-8H2

HIDE SMILES / InChI

Molecular Formula C10H12O
Molecular Weight 148.2017
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 Wed Apr 02 12:22:13 GMT 2025
Edited
by admin
on Wed Apr 02 12:22:13 GMT 2025
Record UNII
1K679U53X6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2-PHENYLETHYL)OXIRANE
Preferred Name English
(3,4-EPOXYBUTYL)BENZENE
Systematic Name English
OXIRANE, 2-(2-PHENYLETHYL)-
Systematic Name English
(3,4-EPOXYBUTYL)BENZENE, (±)-
Systematic Name English
(RS)-2-PHENETHYLOXIRANE
Systematic Name English
1,2-EPOXY-4-PHENYLBUTANE
Systematic Name English
BENZENE, (3,4-EPOXYBUTYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
135955
Created by admin on Wed Apr 02 12:22:13 GMT 2025 , Edited by admin on Wed Apr 02 12:22:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID50920840
Created by admin on Wed Apr 02 12:22:13 GMT 2025 , Edited by admin on Wed Apr 02 12:22:13 GMT 2025
PRIMARY
FDA UNII
1K679U53X6
Created by admin on Wed Apr 02 12:22:13 GMT 2025 , Edited by admin on Wed Apr 02 12:22:13 GMT 2025
PRIMARY
CAS
1126-76-7
Created by admin on Wed Apr 02 12:22:13 GMT 2025 , Edited by admin on Wed Apr 02 12:22:13 GMT 2025
PRIMARY