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Details

Stereochemistry RACEMIC
Molecular Formula C14H24O2
Molecular Weight 224.3392
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOBORNYL ISOBUTYRATE

SMILES

CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C

InChI

InChIKey=KRKIAJBQOUBNSE-GYSYKLTISA-N
InChI=1S/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3/t10-,11-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H24O2
Molecular Weight 224.3392
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:20:24 GMT 2025
Edited
by admin
on Mon Mar 31 21:20:24 GMT 2025
Record UNII
0HWY1Q2V54
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 4146
Preferred Name English
ISOBORNYL ISOBUTYRATE
Common Name English
PROPANOIC ACID, 2-METHYL-, (1R,2R,4R)-1,7,7- TRIMETHYLBICYCLO(2.2.1)HEPT-2-YL ESTER, REL-
Common Name English
ISOBORNYL ISOBUTYRATE, (±)-
Common Name English
EXO-1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPT-2-YL ISOBUTYRATE
Common Name English
(±)-ISOBORNYL ISOBUTYRATE
Common Name English
PROPANOIC ACID, 2-METHYL-, 1,7,7-TRIMETHYLBICYCLO(2.2.1)HEPT-2-YL ESTER, EXO-
Common Name English
Code System Code Type Description
CAS
85586-67-0
Created by admin on Mon Mar 31 21:20:24 GMT 2025 , Edited by admin on Mon Mar 31 21:20:24 GMT 2025
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JECFA MONOGRAPH
1841
Created by admin on Mon Mar 31 21:20:24 GMT 2025 , Edited by admin on Mon Mar 31 21:20:24 GMT 2025
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FDA UNII
0HWY1Q2V54
Created by admin on Mon Mar 31 21:20:24 GMT 2025 , Edited by admin on Mon Mar 31 21:20:24 GMT 2025
PRIMARY
PUBCHEM
174490
Created by admin on Mon Mar 31 21:20:24 GMT 2025 , Edited by admin on Mon Mar 31 21:20:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID40888667
Created by admin on Mon Mar 31 21:20:24 GMT 2025 , Edited by admin on Mon Mar 31 21:20:24 GMT 2025
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ECHA (EC/EINECS)
287-872-8
Created by admin on Mon Mar 31 21:20:24 GMT 2025 , Edited by admin on Mon Mar 31 21:20:24 GMT 2025
PRIMARY