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> Main
CHEBI:34679 - Di-n-octyl phthalate
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ChEBI Ontology
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ChEBI Name
Di-n-octyl phthalate
ChEBI ID
CHEBI:34679
Stars
This entity has been manually annotated by a third party.
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Formula
C24H38O4
Net Charge
0
Average Mass
390.557
Monoisotopic Mass
390.27701
InChI
InChI=1S/C24H38O4/c1-
3-
5-
7-
9-
11-
15-
19-
27-
23(25)
21-
17-
13-
14-
18-
22(21)
24(26)
28-
20-
16-
12-
10-
8-
6-
4-
2/h13-
14,17-
18H,3-
12,15-
16,19-
20H2,1-
2H3
InChIKey
MQIUGAXCHLFZKX-UHFFFAOYSA-N
SMILES
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC
Roles Classification
Application
(s):
endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via
phthalate ester
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Di-n-octyl phthalate (
CHEBI:34679
)
is a
diester (
CHEBI:51307
)
Di-n-octyl phthalate (
CHEBI:34679
)
is a
phthalate ester (
CHEBI:35484
)
Synonyms
Sources
Bis(n-octyl) phthalate
KEGG COMPOUND
Di-n-octyl phthalate
KEGG COMPOUND
Dioctyl 1,2-benzenedicarboxylate
KEGG COMPOUND
Manual Xref
Database
C14227
KEGG COMPOUND
View more database links
Registry Number
Type
Source
117-84-0
CAS Registry Number
KEGG COMPOUND
Last Modified
12 May 2016