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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H16O2
Molecular Weight 156.2221
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLYL HEXANOATE

SMILES

CCCCCC(=O)OCC=C

InChI

InChIKey=RCSBILYQLVXLJG-UHFFFAOYSA-N
InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Allyl compounds selectively killed human immunodeficiency virus (type 1)-infected cells.
1993 Jul 30
Olfactory event-related potentials in patients with brain tumors.
2001 Aug
The effects of vehicles on the human dermal irritation potentials of allyl esters.
2006 May-Jun
Semantic knowledge influences prewired hedonic responses to odors.
2010 Nov 8
Patents
Name Type Language
ALLYL HEXANOATE
FCC   FHFI  
Systematic Name English
FEMA NO. 2032
Code English
HEXANOIC ACID, 2-PROPENYL ESTER
Common Name English
2-PROPENYL HEXANOATE
Systematic Name English
NSC-20962
Code English
ALLYL HEXANOATE [FHFI]
Common Name English
ALLYL HEXANOATE [FCC]
Common Name English
ALLYL CAPROATE
INCI  
INCI  
Official Name English
ALLYL CAPROATE [INCI]
Common Name English
HEXANOIC ACID, ALLYL ESTER
Common Name English
HEXANOIC ACID, 2-PROPEN-1-YL ESTER
Common Name English
Classification Tree Code System Code
JECFA EVALUATION ALLYL HEXANOATE
Created by admin on Fri Dec 15 17:03:54 GMT 2023 , Edited by admin on Fri Dec 15 17:03:54 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:03:54 GMT 2023 , Edited by admin on Fri Dec 15 17:03:54 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID1047653
Created by admin on Fri Dec 15 17:03:54 GMT 2023 , Edited by admin on Fri Dec 15 17:03:54 GMT 2023
PRIMARY
DAILYMED
3VH84A363D
Created by admin on Fri Dec 15 17:03:54 GMT 2023 , Edited by admin on Fri Dec 15 17:03:54 GMT 2023
PRIMARY
JECFA MONOGRAPH
329
Created by admin on Fri Dec 15 17:03:54 GMT 2023 , Edited by admin on Fri Dec 15 17:03:54 GMT 2023
PRIMARY
FDA UNII
3VH84A363D
Created by admin on Fri Dec 15 17:03:54 GMT 2023 , Edited by admin on Fri Dec 15 17:03:54 GMT 2023
PRIMARY
MESH
C016972
Created by admin on Fri Dec 15 17:03:54 GMT 2023 , Edited by admin on Fri Dec 15 17:03:54 GMT 2023
PRIMARY
SMS_ID
100000138727
Created by admin on Fri Dec 15 17:03:54 GMT 2023 , Edited by admin on Fri Dec 15 17:03:54 GMT 2023
PRIMARY
PUBCHEM
31266
Created by admin on Fri Dec 15 17:03:54 GMT 2023 , Edited by admin on Fri Dec 15 17:03:54 GMT 2023
PRIMARY
CAS
123-68-2
Created by admin on Fri Dec 15 17:03:54 GMT 2023 , Edited by admin on Fri Dec 15 17:03:54 GMT 2023
PRIMARY
WIKIPEDIA
ALLYL HEXANOATE
Created by admin on Fri Dec 15 17:03:54 GMT 2023 , Edited by admin on Fri Dec 15 17:03:54 GMT 2023
PRIMARY
NSC
20962
Created by admin on Fri Dec 15 17:03:54 GMT 2023 , Edited by admin on Fri Dec 15 17:03:54 GMT 2023
PRIMARY
EVMPD
SUB78441
Created by admin on Fri Dec 15 17:03:54 GMT 2023 , Edited by admin on Fri Dec 15 17:03:54 GMT 2023
PRIMARY
RXCUI
1807113
Created by admin on Fri Dec 15 17:03:54 GMT 2023 , Edited by admin on Fri Dec 15 17:03:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-642-4
Created by admin on Fri Dec 15 17:03:54 GMT 2023 , Edited by admin on Fri Dec 15 17:03:54 GMT 2023
PRIMARY