U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C14H26O2
Molecular Weight 226.355
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CITRONELLYL ISOBUTYRATE

SMILES

CC(CCOC(=O)C(C)C)CCC=C(C)C

InChI

InChIKey=ZGPPERKMXSGYRK-UHFFFAOYSA-N
InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name Type Language
CITRONELLYL ISOBUTYRATE
FCC   FHFI  
Systematic Name English
PROPANOIC ACID, 2-METHYL-, 3,7-DIMETHYL-6-OCTENYL
Common Name English
3,7-DIMETHYL-6-OCTEN-1-YL ISOBUTYRATE
Systematic Name English
CITRONELLYL ISOBUTYRATE, (±)-
Systematic Name English
NSC-46148
Code English
ISOBUTYRIC ACID, 3,7-DIMETHYL-6-OCTENYL ESTER
Common Name English
PROPANOIC ACID, 2-METHYL-, 3,7-DIMETHYL-6-OCTEN-1-YL ESTER
Common Name English
PROPANOIC ACID, 2-METHYL-, 3,7-DIMETHYL-6-OCTENYL ESTER
Common Name English
CITRONELLYL ISOBUTYRATE [FHFI]
Common Name English
CITRONELLYL ISOBUTYRATE [FCC]
Common Name English
CITRONELLYL ISOBUTYRATE, (RS)-
Systematic Name English
3,7-DIMETHYLOCT-6-ENYL ISOBUTYRATE
Systematic Name English
FEMA NO. 2313
Code English
Classification Tree Code System Code
JECFA EVALUATION CITRONELLYL ISOBUTYRATE
Created by admin on Fri Dec 15 17:10:31 GMT 2023 , Edited by admin on Fri Dec 15 17:10:31 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:10:31 GMT 2023 , Edited by admin on Fri Dec 15 17:10:31 GMT 2023
Code System Code Type Description
PUBCHEM
60985
Created by admin on Fri Dec 15 17:10:31 GMT 2023 , Edited by admin on Fri Dec 15 17:10:31 GMT 2023
PRIMARY
NSC
46148
Created by admin on Fri Dec 15 17:10:31 GMT 2023 , Edited by admin on Fri Dec 15 17:10:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID7052652
Created by admin on Fri Dec 15 17:10:31 GMT 2023 , Edited by admin on Fri Dec 15 17:10:31 GMT 2023
PRIMARY
FDA UNII
5RZR3JKW1P
Created by admin on Fri Dec 15 17:10:31 GMT 2023 , Edited by admin on Fri Dec 15 17:10:31 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-616-7
Created by admin on Fri Dec 15 17:10:31 GMT 2023 , Edited by admin on Fri Dec 15 17:10:31 GMT 2023
PRIMARY
JECFA MONOGRAPH
281
Created by admin on Fri Dec 15 17:10:31 GMT 2023 , Edited by admin on Fri Dec 15 17:10:31 GMT 2023
PRIMARY
CAS
97-89-2
Created by admin on Fri Dec 15 17:10:31 GMT 2023 , Edited by admin on Fri Dec 15 17:10:31 GMT 2023
PRIMARY