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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 HEPTANOATE

SMILES

CCCCCCC(=O)OCCCC

InChI

InChIKey=YPQSPODHFDGVAC-UHFFFAOYSA-N
InChI=1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3

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 Fri Dec 15 18:40:42 GMT 2023
Edited
by admin
on Fri Dec 15 18:40:42 GMT 2023
Record UNII
0Y61V5656M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYL HEPTANOATE
FHFI   USP-RS  
Systematic Name English
FEMA NO. 2199
Code English
NSC-23048
Code English
HEPTANOIC ACID, BUTYL ESTER
Common Name English
BUTYL HEPTANOATE [USP-RS]
Common Name English
BUTYL HEPTANOATE [FHFI]
Common Name English
BUTYL HEPTYLATE
Common Name English
Classification Tree Code System Code
JECFA EVALUATION BUTYL HEPTANOATE
Created by admin on Fri Dec 15 18:40:42 GMT 2023 , Edited by admin on Fri Dec 15 18:40:42 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:40:42 GMT 2023 , Edited by admin on Fri Dec 15 18:40:42 GMT 2023
Code System Code Type Description
NSC
23048
Created by admin on Fri Dec 15 18:40:42 GMT 2023 , Edited by admin on Fri Dec 15 18:40:42 GMT 2023
PRIMARY
JECFA MONOGRAPH
22
Created by admin on Fri Dec 15 18:40:42 GMT 2023 , Edited by admin on Fri Dec 15 18:40:42 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-707-6
Created by admin on Fri Dec 15 18:40:42 GMT 2023 , Edited by admin on Fri Dec 15 18:40:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID9063906
Created by admin on Fri Dec 15 18:40:42 GMT 2023 , Edited by admin on Fri Dec 15 18:40:42 GMT 2023
PRIMARY
RS_ITEM_NUM
1082628
Created by admin on Fri Dec 15 18:40:42 GMT 2023 , Edited by admin on Fri Dec 15 18:40:42 GMT 2023
PRIMARY
FDA UNII
0Y61V5656M
Created by admin on Fri Dec 15 18:40:42 GMT 2023 , Edited by admin on Fri Dec 15 18:40:42 GMT 2023
PRIMARY
PUBCHEM
21596
Created by admin on Fri Dec 15 18:40:42 GMT 2023 , Edited by admin on Fri Dec 15 18:40:42 GMT 2023
PRIMARY
CAS
5454-28-4
Created by admin on Fri Dec 15 18:40:42 GMT 2023 , Edited by admin on Fri Dec 15 18:40:42 GMT 2023
PRIMARY