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

Details

Stereochemistry RACEMIC
Molecular Formula C15H28O2
Molecular Weight 240.3816
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CITRONELLYL VALERATE

SMILES

CCCCC(=O)OCCC(C)CCC=C(C)C

InChI

InChIKey=PFOJEJPZUVQHEH-UHFFFAOYSA-N
InChI=1S/C15H28O2/c1-5-6-10-15(16)17-12-11-14(4)9-7-8-13(2)3/h8,14H,5-7,9-12H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
CITRONELLYL VALERATE
FHFI  
Systematic Name English
PENTANOIC ACID, 3,7-DIMETHYL-6-OCTENYL ESTER
Common Name English
CITRONELLYL VALERATE, (±)-
Systematic Name English
(±)-CITRONELLYL VALERATE
Systematic Name English
FEMA NO. 2317
Code English
CITRONELLYL VALERATE [FHFI]
Common Name English
3,7-DIMETHYLOCT-6-ENYL VALERATE
Systematic Name English
CITRONELLYL PENTANOATE
Systematic Name English
PENTANOIC ACID, 3,7-DIMETHYL-6-OCTEN-1-YL ESTER
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:15:49 GMT 2023 , Edited by admin on Fri Dec 15 18:15:49 GMT 2023
JECFA EVALUATION CITRONELLYL VALERATE
Created by admin on Fri Dec 15 18:15:49 GMT 2023 , Edited by admin on Fri Dec 15 18:15:49 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID00864088
Created by admin on Fri Dec 15 18:15:49 GMT 2023 , Edited by admin on Fri Dec 15 18:15:49 GMT 2023
PRIMARY
FDA UNII
43TPH8V20B
Created by admin on Fri Dec 15 18:15:49 GMT 2023 , Edited by admin on Fri Dec 15 18:15:49 GMT 2023
PRIMARY
PUBCHEM
61416
Created by admin on Fri Dec 15 18:15:49 GMT 2023 , Edited by admin on Fri Dec 15 18:15:49 GMT 2023
PRIMARY
ECHA (EC/EINECS)
231-416-2
Created by admin on Fri Dec 15 18:15:49 GMT 2023 , Edited by admin on Fri Dec 15 18:15:49 GMT 2023
PRIMARY
JECFA MONOGRAPH
549
Created by admin on Fri Dec 15 18:15:49 GMT 2023 , Edited by admin on Fri Dec 15 18:15:49 GMT 2023
PRIMARY
CAS
7540-53-6
Created by admin on Fri Dec 15 18:15:49 GMT 2023 , Edited by admin on Fri Dec 15 18:15:49 GMT 2023
PRIMARY