U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C8H14O3
Molecular Weight 158.195
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTAN-3-ONE-2-YL BUTANOATE

SMILES

CCCC(=O)OC(C)C(C)=O

InChI

InChIKey=LJDWJXUIGKSETE-UHFFFAOYSA-N
InChI=1S/C8H14O3/c1-4-5-8(10)11-7(3)6(2)9/h7H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C8H14O3
Molecular Weight 158.195
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 16:55:43 GMT 2023
Edited
by admin
on Fri Dec 15 16:55:43 GMT 2023
Record UNII
SEN8DCI58L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTAN-3-ONE-2-YL BUTANOATE
FCC   FHFI  
Common Name English
1-METHYL-2-OXOPROPYL BUTYRATE
Systematic Name English
FEMA NO. 3332
Code English
ACETOIN BUTYRATE
Systematic Name English
ACETOYL BUTYRATE
Systematic Name English
BUTAN-3-ONE-2-YL BUTANOATE [FHFI]
Common Name English
BUTANOIC ACID, 1-METHYL-2-OXOPROPYL ESTER
Common Name English
BUTAN-3-ONE-2-YL BUTANOATE [FCC]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION BUTAN-3-ONE-2-YL BUTANOATE
Created by admin on Fri Dec 15 16:55:43 GMT 2023 , Edited by admin on Fri Dec 15 16:55:43 GMT 2023
Code System Code Type Description
CAS
84642-61-5
Created by admin on Fri Dec 15 16:55:43 GMT 2023 , Edited by admin on Fri Dec 15 16:55:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID601305714
Created by admin on Fri Dec 15 16:55:43 GMT 2023 , Edited by admin on Fri Dec 15 16:55:43 GMT 2023
PRIMARY
PUBCHEM
529253
Created by admin on Fri Dec 15 16:55:43 GMT 2023 , Edited by admin on Fri Dec 15 16:55:43 GMT 2023
PRIMARY
FDA UNII
SEN8DCI58L
Created by admin on Fri Dec 15 16:55:43 GMT 2023 , Edited by admin on Fri Dec 15 16:55:43 GMT 2023
PRIMARY
JECFA MONOGRAPH
91
Created by admin on Fri Dec 15 16:55:43 GMT 2023 , Edited by admin on Fri Dec 15 16:55:43 GMT 2023
PRIMARY
ECHA (EC/EINECS)
283-438-7
Created by admin on Fri Dec 15 16:55:43 GMT 2023 , Edited by admin on Fri Dec 15 16:55:43 GMT 2023
PRIMARY