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Details

Stereochemistry RACEMIC
Molecular Formula C12H24O2
Molecular Weight 200.3178
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-OCTYL BUTYRATE

SMILES

CCCCCC(CC)OC(=O)CCC

InChI

InChIKey=USSKZVIXWTWCGK-UHFFFAOYSA-N
InChI=1S/C12H24O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h11H,4-10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H24O2
Molecular Weight 200.3178
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 Fri Dec 15 21:17:41 GMT 2023
Edited
by admin
on Fri Dec 15 21:17:41 GMT 2023
Record UNII
484AMY2W8G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-OCTYL BUTYRATE
FHFI  
Systematic Name English
BUTYRIC ACID, 1-ETHYLHEXYL ESTER
Common Name English
(±)-3-OCTYL BUTYRATE
Systematic Name English
3-OCTYL BUTYRATE [FHFI]
Common Name English
3-OCTANOL, BUTYRATE
Systematic Name English
1-ETHYLHEXYL BUTANOATE
Systematic Name English
3-OCTYL BUTYRATE, (±)-
Systematic Name English
BUTANOIC ACID, 1-ETHYLHEXYL ESTER
Common Name English
FEMA NO. 4402
Code English
Classification Tree Code System Code
JECFA EVALUATION 3-OCTYL BUTYRATE
Created by admin on Fri Dec 15 21:17:41 GMT 2023 , Edited by admin on Fri Dec 15 21:17:41 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
2049
Created by admin on Fri Dec 15 21:17:41 GMT 2023 , Edited by admin on Fri Dec 15 21:17:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
243-687-4
Created by admin on Fri Dec 15 21:17:41 GMT 2023 , Edited by admin on Fri Dec 15 21:17:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID50864932
Created by admin on Fri Dec 15 21:17:41 GMT 2023 , Edited by admin on Fri Dec 15 21:17:41 GMT 2023
PRIMARY
FDA UNII
484AMY2W8G
Created by admin on Fri Dec 15 21:17:41 GMT 2023 , Edited by admin on Fri Dec 15 21:17:41 GMT 2023
PRIMARY
PUBCHEM
89307
Created by admin on Fri Dec 15 21:17:41 GMT 2023 , Edited by admin on Fri Dec 15 21:17:41 GMT 2023
PRIMARY
CAS
20286-45-7
Created by admin on Fri Dec 15 21:17:41 GMT 2023 , Edited by admin on Fri Dec 15 21:17:41 GMT 2023
PRIMARY