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Details

Stereochemistry RACEMIC
Molecular Formula C11H20O4
Molecular Weight 216.2741
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-ACETOXYOCTANOATE

SMILES

CCCCCC(CC(=O)OC)OC(C)=O

InChI

InChIKey=HGSORJXMRKICEG-UHFFFAOYSA-N
InChI=1S/C11H20O4/c1-4-5-6-7-10(15-9(2)12)8-11(13)14-3/h10H,4-8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H20O4
Molecular Weight 216.2741
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 Sat Dec 16 01:04:41 GMT 2023
Edited
by admin
on Sat Dec 16 01:04:41 GMT 2023
Record UNII
16KH805BNJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL 3-ACETOXYOCTANOATE
Systematic Name English
OCTANOIC ACID, 3-(ACETYLOXY)-, METHYL ESTER
Common Name English
(±)-METHYL 3-ACETOXYOCTANOATE
Systematic Name English
METHYL 3-ACETOXYOCTANOATE, (±)-
Systematic Name English
FEMA NO. 4454
Code English
Classification Tree Code System Code
JECFA EVALUATION METHYL 3-ACETOXYOCTANOATE
Created by admin on Sat Dec 16 01:04:41 GMT 2023 , Edited by admin on Sat Dec 16 01:04:41 GMT 2023
Code System Code Type Description
PUBCHEM
529300
Created by admin on Sat Dec 16 01:04:41 GMT 2023 , Edited by admin on Sat Dec 16 01:04:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
252-452-5
Created by admin on Sat Dec 16 01:04:41 GMT 2023 , Edited by admin on Sat Dec 16 01:04:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID80865755
Created by admin on Sat Dec 16 01:04:41 GMT 2023 , Edited by admin on Sat Dec 16 01:04:41 GMT 2023
PRIMARY
FDA UNII
16KH805BNJ
Created by admin on Sat Dec 16 01:04:41 GMT 2023 , Edited by admin on Sat Dec 16 01:04:41 GMT 2023
PRIMARY
JECFA MONOGRAPH
1934
Created by admin on Sat Dec 16 01:04:41 GMT 2023 , Edited by admin on Sat Dec 16 01:04:41 GMT 2023
PRIMARY
CAS
35234-21-0
Created by admin on Sat Dec 16 01:04:41 GMT 2023 , Edited by admin on Sat Dec 16 01:04:41 GMT 2023
PRIMARY