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> Main
CHEBI:34678 - Di-n-hexyl phthalate
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ChEBI Ontology
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ChEBI Name
Di-n-hexyl phthalate
ChEBI ID
CHEBI:34678
Stars
This entity has been manually annotated by a third party.
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Formula
C20H30O4
Net Charge
0
Average Mass
334.451
Monoisotopic Mass
334.21441
InChI
InChI=1S/C20H30O4/c1-
3-
5-
7-
11-
15-
23-
19(21)
17-
13-
9-
10-
14-
18(17)
20(22)
24-
16-
12-
8-
6-
4-
2/h9-
10,13-
14H,3-
8,11-
12,15-
16H2,1-
2H3
InChIKey
KCXZNSGUUQJJTR-UHFFFAOYSA-N
SMILES
CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Di-n-hexyl phthalate (
CHEBI:34678
)
is a
2-hydroxyisophthalic acid (
CHEBI:19643
)
Synonyms
Sources
Di-n-hexyl phthalate
KEGG COMPOUND
Dihexyl 1,2-benzenedicarboxylate
KEGG COMPOUND
Dihexyl phthalate
KEGG COMPOUND
Manual Xref
Database
C14504
KEGG COMPOUND
View more database links
Registry Number
Type
Source
84-75-3
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014