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Details

Stereochemistry ACHIRAL
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTYL HEXANOATE

SMILES

CCCCCC(=O)OCCCC

InChI

InChIKey=RPRPDTXKGSIXMD-UHFFFAOYSA-N
InChI=1S/C10H20O2/c1-3-5-7-8-10(11)12-9-6-4-2/h3-9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C10H20O2
Molecular Weight 172.2646
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Identification of host fruit volatiles from hawthorn (Crataegus spp.) attractive to hawthorn-origin Rhagoletis pomonella flies.
2003 Feb
A female-specific attractant for the codling moth, Cydia pomonella, from apple fruit volatiles.
2004 Feb
Overlapping spectra resolution using non-negative matrix factorization.
2005 Mar 31
Headspace solid phase microextraction and gas chromatography-olfactometry dilution analysis of young and aged Chinese "Yanghe Daqu" liquors.
2005 Oct 5
Characterization of aroma compounds of chinese "Wuliangye" and "Jiannanchun" liquors by aroma extract dilution analysis.
2006 Apr 5
Enzymatic reactions and synthesis of n-butyl caproate: esterification, transesterification and aminolysis using a recombinant lipase from Geobacillus thermoleovorans CCR11.
2010 Sep
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 17:54:55 GMT 2023
Edited
by admin
on Fri Dec 15 17:54:55 GMT 2023
Record UNII
EBK588Q27T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BUTYL HEXANOATE
FHFI   USP-RS  
Systematic Name English
NSC-4022
Code English
N-BUTYL HEXANOATE
Common Name English
BUTYL CAPROATE
Systematic Name English
FEMA NO. 2201
Code English
HEXANOIC ACID, BUTYL ESTER
Common Name English
BUTYL HEXANOATE [USP-RS]
Common Name English
BUTYL HEXANOATE [FHFI]
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 17:54:55 GMT 2023 , Edited by admin on Fri Dec 15 17:54:55 GMT 2023
JECFA EVALUATION BUTYL HEXANOATE
Created by admin on Fri Dec 15 17:54:55 GMT 2023 , Edited by admin on Fri Dec 15 17:54:55 GMT 2023
Code System Code Type Description
NSC
4022
Created by admin on Fri Dec 15 17:54:55 GMT 2023 , Edited by admin on Fri Dec 15 17:54:55 GMT 2023
PRIMARY
RXCUI
2467278
Created by admin on Fri Dec 15 17:54:55 GMT 2023 , Edited by admin on Fri Dec 15 17:54:55 GMT 2023
PRIMARY
CAS
626-82-4
Created by admin on Fri Dec 15 17:54:55 GMT 2023 , Edited by admin on Fri Dec 15 17:54:55 GMT 2023
PRIMARY
MESH
C046398
Created by admin on Fri Dec 15 17:54:55 GMT 2023 , Edited by admin on Fri Dec 15 17:54:55 GMT 2023
PRIMARY
RS_ITEM_NUM
1082967
Created by admin on Fri Dec 15 17:54:55 GMT 2023 , Edited by admin on Fri Dec 15 17:54:55 GMT 2023
PRIMARY
FDA UNII
EBK588Q27T
Created by admin on Fri Dec 15 17:54:55 GMT 2023 , Edited by admin on Fri Dec 15 17:54:55 GMT 2023
PRIMARY
JECFA MONOGRAPH
219
Created by admin on Fri Dec 15 17:54:55 GMT 2023 , Edited by admin on Fri Dec 15 17:54:55 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-964-6
Created by admin on Fri Dec 15 17:54:55 GMT 2023 , Edited by admin on Fri Dec 15 17:54:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID8060824
Created by admin on Fri Dec 15 17:54:55 GMT 2023 , Edited by admin on Fri Dec 15 17:54:55 GMT 2023
PRIMARY
PUBCHEM
12294
Created by admin on Fri Dec 15 17:54:55 GMT 2023 , Edited by admin on Fri Dec 15 17:54:55 GMT 2023
PRIMARY
DAILYMED
EBK588Q27T
Created by admin on Fri Dec 15 17:54:55 GMT 2023 , Edited by admin on Fri Dec 15 17:54:55 GMT 2023
PRIMARY
CHEBI
89561
Created by admin on Fri Dec 15 17:54:55 GMT 2023 , Edited by admin on Fri Dec 15 17:54:55 GMT 2023
PRIMARY