Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:87266 - 5-chlorooctyl acetate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
5-chlorooctyl acetate
ChEBI ID
CHEBI:87266
Definition
An acetate ester that is octyl acetate substituted by a chloro group at position 5.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C10H19ClO2
Net Charge
0
Average Mass
206.71000
Monoisotopic Mass
206.10736
InChI
InChI=1S/C10H19ClO2/c1-3-6-10(11)7-4-5-8-13-9(2)12/h10H,3-8H2,1-2H3
InChIKey
MCTSGNCLJHZLHV-UHFFFAOYSA-N
SMILES
CCCC(Cl)CCCCOC(C)=O
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5-chlorooctyl acetate (
CHEBI:87266
)
has role
metabolite (
CHEBI:25212
)
5-chlorooctyl acetate (
CHEBI:87266
)
is a
acetate ester (
CHEBI:47622
)
5-chlorooctyl acetate (
CHEBI:87266
)
is a
organochlorine compound (
CHEBI:36683
)
IUPAC Name
5-chlorooctyl acetate
Registry Number
Type
Source
6188730
Reaxys Registry Number
Reaxys
Last Modified
03 September 2015