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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 BUTYRATE

SMILES

CCCC(=O)OCCC(C)CCC=C(C)C

InChI

InChIKey=XQPZQXTWYZAXAK-UHFFFAOYSA-N
InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Water soluble fractions of rose-scented geranium (Pelargonium species) essential oil.
2002 Sep
Enantioselective transacetylation of (R,S)-beta-citronellol by propanol rinsed immobilized Rhizomucor miehei lipase.
2007 Apr 18
Patents
Name Type Language
CITRONELLYL BUTYRATE
FCC   FHFI  
Systematic Name English
3,7-DIMETHYL-6-OCTEN-1-YL BUTYRATE
Systematic Name English
(±)-CITRONELLYL BUTYRATE
Systematic Name English
BUTANOIC ACID, 3,7-DIMETHYL-6-OCTENYL ESTER
Common Name English
NSC-46147
Code English
BUTYRIC ACID, 3,7-DIMETHYL-6-OCTENYL ESTER
Common Name English
BUTANOIC ACID, 3,7-DIMETHYL-6-OCTEN-1-YL ESTER
Common Name English
CITRONELLYL BUTYRATE [FCC]
Common Name English
CITRONELLYL BUTYRATE, (±)-
Systematic Name English
FEMA NO. 2312
Code English
CITRONELLYL BUTYRATE [FHFI]
Common Name English
6-OCTEN-1-OL, 3,7-DIMETHYL-, BUTYRATE
Systematic Name English
(1)-3,7-DIMETHYLOCT-6-ENYL BUTYRATE
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 16:53:41 GMT 2023 , Edited by admin on Fri Dec 15 16:53:41 GMT 2023
JECFA EVALUATION CITRONELLYL BUTYRATE
Created by admin on Fri Dec 15 16:53:41 GMT 2023 , Edited by admin on Fri Dec 15 16:53:41 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
292
Created by admin on Fri Dec 15 16:53:41 GMT 2023 , Edited by admin on Fri Dec 15 16:53:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
205-463-4
Created by admin on Fri Dec 15 16:53:41 GMT 2023 , Edited by admin on Fri Dec 15 16:53:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID5047405
Created by admin on Fri Dec 15 16:53:41 GMT 2023 , Edited by admin on Fri Dec 15 16:53:41 GMT 2023
PRIMARY
NSC
46147
Created by admin on Fri Dec 15 16:53:41 GMT 2023 , Edited by admin on Fri Dec 15 16:53:41 GMT 2023
PRIMARY
FDA UNII
IY68QPD54V
Created by admin on Fri Dec 15 16:53:41 GMT 2023 , Edited by admin on Fri Dec 15 16:53:41 GMT 2023
PRIMARY
CAS
141-16-2
Created by admin on Fri Dec 15 16:53:41 GMT 2023 , Edited by admin on Fri Dec 15 16:53:41 GMT 2023
PRIMARY
PUBCHEM
8835
Created by admin on Fri Dec 15 16:53:41 GMT 2023 , Edited by admin on Fri Dec 15 16:53:41 GMT 2023
PRIMARY