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:90250 - 2-naphthyl octanoate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2-naphthyl octanoate
ChEBI ID
CHEBI:90250
Definition
A octanoate ester obtained by formal condensation of the carboxy group of octanoic acid with the hydroxy group of 2-naphthol.
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
C18H22O2
Net Charge
0
Average Mass
270.367
Monoisotopic Mass
270.16198
InChI
InChI=1S/C18H22O2/c1-
2-
3-
4-
5-
6-
11-
18(19)
20-
17-
13-
12-
15-
9-
7-
8-
10-
16(15)
14-
17/h7-
10,12-
14H,2-
6,11H2,1H3
InChIKey
CXVZBUOSDMLXNK-UHFFFAOYSA-N
SMILES
O(C(CCCCCCC)=O)C=1C=C2C=CC=CC2=CC1
Roles Classification
Application
(s):
chromogenic compound
Colourless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into coloured compounds. They are used in biochemical assays and in diagnosis as indicators, particularly in the form of enzyme substrates.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-naphthyl octanoate (
CHEBI:90250
)
has functional parent
2-naphthol (
CHEBI:10432
)
2-naphthyl octanoate (
CHEBI:90250
)
has role
chromogenic compound (
CHEBI:75050
)
2-naphthyl octanoate (
CHEBI:90250
)
is a
aromatic ester (
CHEBI:62732
)
2-naphthyl octanoate (
CHEBI:90250
)
is a
naphthalenes (
CHEBI:25477
)
2-naphthyl octanoate (
CHEBI:90250
)
is a
octanoate ester (
CHEBI:87657
)
IUPAC Name
naphthalen-2-yl octanoate
Synonyms
Sources
2-Naphthyl caprylate
ChemIDplus
Octanoic acid, 2-naphthalenyl ester
ChemIDplus
Octanoic acid, 2-naphthyl ester
NIST Chemistry WebBook
Registry Numbers
Types
Sources
10251-17-9
CAS Registry Number
NIST Chemistry WebBook
10251-17-9
CAS Registry Number
ChemIDplus
2531149
Reaxys Registry Number
Reaxys
Citations
Types
Sources
3082952
PubMed citation
Europe PMC
3088074
PubMed citation
Europe PMC
Last Modified
06 November 2015