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Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O3
Molecular Weight 158.195
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYL ACETOACETATE

SMILES

CCCCOC(=O)CC(C)=O

InChI

InChIKey=REIYHFWZISXFKU-UHFFFAOYSA-N
InChI=1S/C8H14O3/c1-3-4-5-11-8(10)6-7(2)9/h3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C8H14O3
Molecular Weight 158.195
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Preparation of an organic solvent-tolerant strain from baker's yeast.
2001 May
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:41:23 GMT 2023
Edited
by admin
on Fri Dec 15 18:41:23 GMT 2023
Record UNII
2W08J7H74O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYL ACETOACETATE
FHFI  
Systematic Name English
BUTANOIC ACID, 3-OXO-, BUTYL ESTER
Common Name English
FEMA NO. 2176
Code English
NSC-97211
Code English
BUTYL 3-OXOBUTANOATE
Systematic Name English
ACETOACETIC ACID, BUTYL ESTER
Common Name English
BUTYL ACETOACETATE [FHFI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION BUTYL ACETOACETATE
Created by admin on Fri Dec 15 18:41:23 GMT 2023 , Edited by admin on Fri Dec 15 18:41:23 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:41:23 GMT 2023 , Edited by admin on Fri Dec 15 18:41:23 GMT 2023
Code System Code Type Description
FDA UNII
2W08J7H74O
Created by admin on Fri Dec 15 18:41:23 GMT 2023 , Edited by admin on Fri Dec 15 18:41:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-722-2
Created by admin on Fri Dec 15 18:41:23 GMT 2023 , Edited by admin on Fri Dec 15 18:41:23 GMT 2023
PRIMARY
JECFA MONOGRAPH
157
Created by admin on Fri Dec 15 18:41:23 GMT 2023 , Edited by admin on Fri Dec 15 18:41:23 GMT 2023
PRIMARY
PUBCHEM
11576
Created by admin on Fri Dec 15 18:41:23 GMT 2023 , Edited by admin on Fri Dec 15 18:41:23 GMT 2023
PRIMARY
CAS
591-60-6
Created by admin on Fri Dec 15 18:41:23 GMT 2023 , Edited by admin on Fri Dec 15 18:41:23 GMT 2023
PRIMARY
NSC
97211
Created by admin on Fri Dec 15 18:41:23 GMT 2023 , Edited by admin on Fri Dec 15 18:41:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID3060453
Created by admin on Fri Dec 15 18:41:23 GMT 2023 , Edited by admin on Fri Dec 15 18:41:23 GMT 2023
PRIMARY