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Details

Stereochemistry ACHIRAL
Molecular Formula C12H24O2
Molecular Weight 200.3178
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCTYL ISOBUTYRATE

SMILES

CCCCCCCCOC(=O)C(C)C

InChI

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

HIDE SMILES / InChI

Molecular Formula C12H24O2
Molecular Weight 200.3178
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 16:49:04 GMT 2023
Edited
by admin
on Fri Dec 15 16:49:04 GMT 2023
Record UNII
T5819VWJ3T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCTYL ISOBUTYRATE
FCC   FHFI  
Systematic Name English
FEMA NO. 2808
Code English
ISOBUTYRIC ACID, OCTYL ESTER
Common Name English
OCTYL 2-METHYLPROPANOATE
Systematic Name English
OCTYL ISOBUTYRATE [FCC]
Common Name English
PROPANOIC ACID, 2-METHYL-, OCTYL ESTER
Common Name English
NSC-72024
Code English
CAPRYLYL ISOBUTYRATE
Systematic Name English
OCTYL ISOBUTYRATE [FHFI]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
JECFA EVALUATION OCTYL ISOBUTYRATE
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
Code System Code Type Description
NSC
72024
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
PRIMARY
PUBCHEM
61024
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
PRIMARY
JECFA MONOGRAPH
199
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
PRIMARY
CAS
109-15-9
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-651-0
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
PRIMARY
EPA CompTox
DTXSID6059364
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
PRIMARY
FDA UNII
T5819VWJ3T
Created by admin on Fri Dec 15 16:49:04 GMT 2023 , Edited by admin on Fri Dec 15 16:49:04 GMT 2023
PRIMARY