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Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O2
Molecular Weight 178.2277
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYL BENZOATE

SMILES

CCCCOC(=O)C1=CC=CC=C1

InChI

InChIKey=XSIFPSYPOVKYCO-UHFFFAOYSA-N
InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

HIDE SMILES / InChI

Molecular Formula C11H14O2
Molecular Weight 178.2277
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Purification and properties of an esterase from Aspergillus nomius HS-1 degrading ethylene glycol dibenzoate.
2003 Jun 6
Influence of the particle porosity on chromatographic band profiles.
2003 Mar 14
Pi-Pi complexation of bupivacaine and analogues with aromatic receptors: implications for overdose remediation.
2007
Martin-Synge algorithm for the solution of equilibrium-dispersive model of liquid chromatography.
2010 Dec 24
The seed composition of Arabidopsis mutants for the group 3 sulfate transporters indicates a role in sulfate translocation within developing seeds.
2010 Oct
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:31:15 GMT 2023
Edited
by admin
on Fri Dec 15 19:31:15 GMT 2023
Record UNII
1TGZ0D0O8I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYL BENZOATE
HSDB   INCI  
INCI  
Official Name English
NSC-8474
Code English
BUTYL BENZOATE [HSDB]
Common Name English
N-BUTYL BENZOATE [MI]
Common Name English
N-BUTYL BENZOATE
MI  
Common Name English
BUTYL BENZOATE [INCI]
Common Name English
Code System Code Type Description
MERCK INDEX
m2824
Created by admin on Fri Dec 15 19:31:15 GMT 2023 , Edited by admin on Fri Dec 15 19:31:15 GMT 2023
PRIMARY Merck Index
HSDB
2089
Created by admin on Fri Dec 15 19:31:15 GMT 2023 , Edited by admin on Fri Dec 15 19:31:15 GMT 2023
PRIMARY
FDA UNII
1TGZ0D0O8I
Created by admin on Fri Dec 15 19:31:15 GMT 2023 , Edited by admin on Fri Dec 15 19:31:15 GMT 2023
PRIMARY
ECHA (EC/EINECS)
205-252-7
Created by admin on Fri Dec 15 19:31:15 GMT 2023 , Edited by admin on Fri Dec 15 19:31:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID8040694
Created by admin on Fri Dec 15 19:31:15 GMT 2023 , Edited by admin on Fri Dec 15 19:31:15 GMT 2023
PRIMARY
PUBCHEM
8698
Created by admin on Fri Dec 15 19:31:15 GMT 2023 , Edited by admin on Fri Dec 15 19:31:15 GMT 2023
PRIMARY
CHEBI
156070
Created by admin on Fri Dec 15 19:31:15 GMT 2023 , Edited by admin on Fri Dec 15 19:31:15 GMT 2023
PRIMARY
CAS
136-60-7
Created by admin on Fri Dec 15 19:31:15 GMT 2023 , Edited by admin on Fri Dec 15 19:31:15 GMT 2023
PRIMARY
NSC
8474
Created by admin on Fri Dec 15 19:31:15 GMT 2023 , Edited by admin on Fri Dec 15 19:31:15 GMT 2023
PRIMARY