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Details

Stereochemistry ACHIRAL
Molecular Formula C14H20O2
Molecular Weight 220.3074
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEPTYL BENZOATE

SMILES

CCCCCCCOC(=O)C1=CC=CC=C1

InChI

InChIKey=UMFTYCUYCNMERS-UHFFFAOYSA-N
InChI=1S/C14H20O2/c1-2-3-4-5-9-12-16-14(15)13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3

HIDE SMILES / InChI

Molecular Formula C14H20O2
Molecular Weight 220.3074
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 19:33:20 GMT 2025
Edited
by admin
on Tue Apr 01 19:33:20 GMT 2025
Record UNII
AV223R3A6M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEPTYL BENZOATE
Systematic Name English
NSC-53805
Preferred Name English
BENZOIC ACID, HEPTYL ESTER
Common Name English
HEPTYLBENZOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
81591
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
PRIMARY
ECHA (EC/EINECS)
230-511-6
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID60221794
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
PRIMARY
NSC
53805
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
PRIMARY
CAS
7155-12-6
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
PRIMARY
FDA UNII
AV223R3A6M
Created by admin on Tue Apr 01 19:33:20 GMT 2025 , Edited by admin on Tue Apr 01 19:33:20 GMT 2025
PRIMARY