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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 ISOBUTYL HEPTANOATE

SMILES

CCCCCCC(=O)OCC(C)C

InChI

InChIKey=HXJOYVPESRRCDB-UHFFFAOYSA-N
InChI=1S/C11H22O2/c1-4-5-6-7-8-11(12)13-9-10(2)3/h10H,4-9H2,1-3H3

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 19:03:53 GMT 2023
Edited
by admin
on Fri Dec 15 19:03:53 GMT 2023
Record UNII
LJS6KH0B8M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOBUTYL HEPTANOATE
FHFI   USP-RS  
Systematic Name English
ISOBUTYL HEPTANOATE [FHFI]
Common Name English
FEMA NO. 2200
Code English
ISOBUTYL HEPTANOATE [USP-RS]
Common Name English
2-METHYLPROPYL HEPTANOATE
Systematic Name English
2-METHYL-1-PROPYL HEPTANOATE
Systematic Name English
HEPTANOIC ACID, ISOBUTYL ESTER
Code English
HEPTANOIC ACID, 2-METHYLPROPYL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION ISOBUTYL HEPTANOATE
Created by admin on Fri Dec 15 19:03:53 GMT 2023 , Edited by admin on Fri Dec 15 19:03:53 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 19:03:53 GMT 2023 , Edited by admin on Fri Dec 15 19:03:53 GMT 2023
Code System Code Type Description
FDA UNII
LJS6KH0B8M
Created by admin on Fri Dec 15 19:03:53 GMT 2023 , Edited by admin on Fri Dec 15 19:03:53 GMT 2023
PRIMARY
ECHA (EC/EINECS)
231-940-1
Created by admin on Fri Dec 15 19:03:53 GMT 2023 , Edited by admin on Fri Dec 15 19:03:53 GMT 2023
PRIMARY
RS_ITEM_NUM
1347824
Created by admin on Fri Dec 15 19:03:53 GMT 2023 , Edited by admin on Fri Dec 15 19:03:53 GMT 2023
PRIMARY
JECFA MONOGRAPH
638
Created by admin on Fri Dec 15 19:03:53 GMT 2023 , Edited by admin on Fri Dec 15 19:03:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID8064806
Created by admin on Fri Dec 15 19:03:53 GMT 2023 , Edited by admin on Fri Dec 15 19:03:53 GMT 2023
PRIMARY
PUBCHEM
24516
Created by admin on Fri Dec 15 19:03:53 GMT 2023 , Edited by admin on Fri Dec 15 19:03:53 GMT 2023
PRIMARY
CAS
7779-80-8
Created by admin on Fri Dec 15 19:03:53 GMT 2023 , Edited by admin on Fri Dec 15 19:03:53 GMT 2023
PRIMARY