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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O3
Molecular Weight 222.2802
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Butoxyethyl benzoate

SMILES

CCCCOCCOC(=O)C1=CC=CC=C1

InChI

InChIKey=NMBQBIACXMPEQB-UHFFFAOYSA-N
InChI=1S/C13H18O3/c1-2-3-9-15-10-11-16-13(14)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H18O3
Molecular Weight 222.2802
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 13:08:15 GMT 2023
Edited
by admin
on Sat Dec 16 13:08:15 GMT 2023
Record UNII
GXR433LN7T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Butoxyethyl benzoate
Systematic Name English
Benzoic acid, 2-butoxyethyl ester
Common Name English
Ethanol, 2-butoxy-, 1-benzoate
Systematic Name English
NSC-21857
Code English
2-Butoxyethanol benzoate
Common Name English
AI3-30512
Code English
Ethanol, 2-butoxy-, benzoate
Systematic Name English
Code System Code Type Description
FDA UNII
GXR433LN7T
Created by admin on Sat Dec 16 13:08:15 GMT 2023 , Edited by admin on Sat Dec 16 13:08:15 GMT 2023
PRIMARY
PUBCHEM
79543
Created by admin on Sat Dec 16 13:08:15 GMT 2023 , Edited by admin on Sat Dec 16 13:08:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID50863546
Created by admin on Sat Dec 16 13:08:15 GMT 2023 , Edited by admin on Sat Dec 16 13:08:15 GMT 2023
PRIMARY
CAS
5451-76-3
Created by admin on Sat Dec 16 13:08:15 GMT 2023 , Edited by admin on Sat Dec 16 13:08:15 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-685-8
Created by admin on Sat Dec 16 13:08:15 GMT 2023 , Edited by admin on Sat Dec 16 13:08:15 GMT 2023
PRIMARY
NSC
21857
Created by admin on Sat Dec 16 13:08:15 GMT 2023 , Edited by admin on Sat Dec 16 13:08:15 GMT 2023
PRIMARY