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

Details

Stereochemistry RACEMIC
Molecular Formula C11H20O2
Molecular Weight 184.2753
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CITRONELLYL FORMATE

SMILES

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

InChI

InChIKey=DZNVIZQPWLDQHI-UHFFFAOYSA-N
InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H20O2
Molecular Weight 184.2753
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Water soluble fractions of rose-scented geranium (Pelargonium species) essential oil.
2002 Sep
Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil.
2005 Mar 9
Suppression of carrageenan- and collagen II-induced inflammation in mice by geranium oil.
2006
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:32:23 GMT 2023
Edited
by admin
on Fri Dec 15 17:32:23 GMT 2023
Record UNII
7B1MY2BRDK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CITRONELLYL FORMATE
FCC   FHFI  
Systematic Name English
CITRONELLYL FORMATE, (±)-
Systematic Name English
6-OCTEN-1-OL, 3,7-DIMETHYL-, FORMATE
Systematic Name English
3,7-DIMETHYLOCT-6-EN-1-YL FORMATE
Systematic Name English
(±)-CITRONELLYL FORMATE
Systematic Name English
NSC-46117
Code English
FEMA NO. 2314
Code English
(1)-3,7-DIMETHYLOCT-6-ENYL FORMATE
Common Name English
CITRONELLYL FORMATE [FCC]
Common Name English
6-OCTEN-1-OL, 3,7-DIMETHYL-, 1-FORMATE
Common Name English
CITRONELLYL FORMATE [FHFI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION CITRONELLYL FORMATE
Created by admin on Fri Dec 15 17:32:23 GMT 2023 , Edited by admin on Fri Dec 15 17:32:23 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:32:23 GMT 2023 , Edited by admin on Fri Dec 15 17:32:23 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID1044772
Created by admin on Fri Dec 15 17:32:23 GMT 2023 , Edited by admin on Fri Dec 15 17:32:23 GMT 2023
PRIMARY
MESH
C062414
Created by admin on Fri Dec 15 17:32:23 GMT 2023 , Edited by admin on Fri Dec 15 17:32:23 GMT 2023
PRIMARY
SMS_ID
100000178176
Created by admin on Fri Dec 15 17:32:23 GMT 2023 , Edited by admin on Fri Dec 15 17:32:23 GMT 2023
PRIMARY
JECFA MONOGRAPH
299
Created by admin on Fri Dec 15 17:32:23 GMT 2023 , Edited by admin on Fri Dec 15 17:32:23 GMT 2023
PRIMARY
EVMPD
SUB193753
Created by admin on Fri Dec 15 17:32:23 GMT 2023 , Edited by admin on Fri Dec 15 17:32:23 GMT 2023
PRIMARY
PUBCHEM
7778
Created by admin on Fri Dec 15 17:32:23 GMT 2023 , Edited by admin on Fri Dec 15 17:32:23 GMT 2023
PRIMARY
FDA UNII
7B1MY2BRDK
Created by admin on Fri Dec 15 17:32:23 GMT 2023 , Edited by admin on Fri Dec 15 17:32:23 GMT 2023
PRIMARY
CAS
105-85-1
Created by admin on Fri Dec 15 17:32:23 GMT 2023 , Edited by admin on Fri Dec 15 17:32:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-338-9
Created by admin on Fri Dec 15 17:32:23 GMT 2023 , Edited by admin on Fri Dec 15 17:32:23 GMT 2023
PRIMARY
NSC
46117
Created by admin on Fri Dec 15 17:32:23 GMT 2023 , Edited by admin on Fri Dec 15 17:32:23 GMT 2023
PRIMARY