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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 HEXYL BUTYRATE

SMILES

CCCCCCOC(=O)CCC

InChI

InChIKey=XAPCMTMQBXLDBB-UHFFFAOYSA-N
InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/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
Ethyl 1-(4-methoxy-phen-yl)-2-nitro-3-[4-oxo-3-phenyl-1-(4-methoxy-phen-yl)azetidin-2-yl]-2,3,10,10a-tetra-hydro-1H,5H-pyrrolo[1,2-b]isoquinoline-10a-carboxyl-ate.
2008 Apr 23
Bioassay screening of the essential oil and various extracts from 4 spices medicinal plants.
2009 Jul
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:13:21 GMT 2023
Edited
by admin
on Fri Dec 15 18:13:21 GMT 2023
Record UNII
74HY6P24G7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXYL BUTYRATE
FCC   FHFI  
Systematic Name English
BUTANOIC ACID, HEXYL ESTER
Common Name English
BUTYRIC ACID, HEXYL ESTER
Common Name English
FEMA NO. 2568
Code English
HEXYL BUTYRATE [FCC]
Common Name English
HEXYL BUTANOATE
Systematic Name English
N-HEXYL BUTANOATE
Common Name English
HEXYL BUTYRATE [FHFI]
Common Name English
Classification Tree Code System Code
JECFA EVALUATION HEXYL BUTYRATE
Created by admin on Fri Dec 15 18:13:21 GMT 2023 , Edited by admin on Fri Dec 15 18:13:21 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 18:13:21 GMT 2023 , Edited by admin on Fri Dec 15 18:13:21 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID8047559
Created by admin on Fri Dec 15 18:13:21 GMT 2023 , Edited by admin on Fri Dec 15 18:13:21 GMT 2023
PRIMARY
CHEBI
87559
Created by admin on Fri Dec 15 18:13:21 GMT 2023 , Edited by admin on Fri Dec 15 18:13:21 GMT 2023
PRIMARY
JECFA MONOGRAPH
225
Created by admin on Fri Dec 15 18:13:21 GMT 2023 , Edited by admin on Fri Dec 15 18:13:21 GMT 2023
PRIMARY
PUBCHEM
17525
Created by admin on Fri Dec 15 18:13:21 GMT 2023 , Edited by admin on Fri Dec 15 18:13:21 GMT 2023
PRIMARY
CAS
2639-63-6
Created by admin on Fri Dec 15 18:13:21 GMT 2023 , Edited by admin on Fri Dec 15 18:13:21 GMT 2023
PRIMARY
FDA UNII
74HY6P24G7
Created by admin on Fri Dec 15 18:13:21 GMT 2023 , Edited by admin on Fri Dec 15 18:13:21 GMT 2023
PRIMARY
ECHA (EC/EINECS)
220-136-6
Created by admin on Fri Dec 15 18:13:21 GMT 2023 , Edited by admin on Fri Dec 15 18:13:21 GMT 2023
PRIMARY
SMS_ID
100000184097
Created by admin on Fri Dec 15 18:13:21 GMT 2023 , Edited by admin on Fri Dec 15 18:13:21 GMT 2023
PRIMARY