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Details

Stereochemistry ACHIRAL
Molecular Formula C11H22O2
Molecular Weight 186.2912
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYL NEOHEPTANOATE

SMILES

CCCCOC(=O)CCC(C)(C)C

InChI

InChIKey=MWIRMYXMMPLBOV-UHFFFAOYSA-N
InChI=1S/C11H22O2/c1-5-6-9-13-10(12)7-8-11(2,3)4/h5-9H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C11H22O2
Molecular Weight 186.2912
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 12:37:57 GMT 2023
Edited
by admin
on Sat Dec 16 12:37:57 GMT 2023
Record UNII
VR95K7T8NF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYL NEOHEPTANOATE
Systematic Name English
N-BUTYL NEOHEPTANOATE
Common Name English
NEOHEPTANOIC ACID, BUTYL ESTER
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
268-226-4
Created by admin on Sat Dec 16 12:37:57 GMT 2023 , Edited by admin on Sat Dec 16 12:37:57 GMT 2023
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FDA UNII
VR95K7T8NF
Created by admin on Sat Dec 16 12:37:57 GMT 2023 , Edited by admin on Sat Dec 16 12:37:57 GMT 2023
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PUBCHEM
106418
Created by admin on Sat Dec 16 12:37:57 GMT 2023 , Edited by admin on Sat Dec 16 12:37:57 GMT 2023
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CAS
68039-02-1
Created by admin on Sat Dec 16 12:37:57 GMT 2023 , Edited by admin on Sat Dec 16 12:37:57 GMT 2023
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EPA CompTox
DTXSID9071006
Created by admin on Sat Dec 16 12:37:57 GMT 2023 , Edited by admin on Sat Dec 16 12:37:57 GMT 2023
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