AromaDb: A Database of Plant's Aroma Molecules

Diisobutyl Phthalate Details

: IUPAC Name
bis(2-methylpropyl) benzene-1,2-dicarboxylate
:Chemical Class
Ester
:CAS Registry Number
84-69-5
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID6782
Molecular Weight (mg/mol)278.343
Molecular FormulaC16H22O4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
IUPAC Namebis(2-methylpropyl) benzene-1,2-dicarboxylate
Canonical SMILESCC(C)COC(=O)c1ccccc1C(=O)OCC(C)C
PUBCHEM IUPAC INCHIKEYMGWAVDBGNNKXQV-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-4.14

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA52.6
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.924
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD506.62494 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 84-69-5 AMHR2 Rattus norvegicus diisobutyl phthalate results in increased expression of AMHR2 mRNA increases^expression 22112501
2 84-69-5 AR Homo sapiens diisobutyl phthalate inhibits the reaction [Dihydrotestosterone binds to and results in increased activity of AR protein] affects^binding|decreases^reaction|increases^activity 15840436
3 84-69-5 AR Rattus norvegicus diisobutyl phthalate binds to AR protein affects^binding 14565775
4 84-69-5 BAX Mus musculus [diethyl phthalate co-treated with Diethylhexyl Phthalate co-treated with Dibutyl Phthalate co-treated with diisononyl phthalate co-treated with diisobutyl phthalate co-treated with butylbenzyl phthalate] results in decreased expression of BAX mRNA affects^cotreatment|decreases^expression 28013214
5 84-69-5 BCL2 Mus musculus [diethyl phthalate co-treated with Diethylhexyl Phthalate co-treated with Dibutyl Phthalate co-treated with diisononyl phthalate co-treated with diisobutyl phthalate co-treated with butylbenzyl phthalate] results in increased expression of BCL2 mRNA affects^cotreatment|increases^expression 28013214
6 84-69-5 CASP8 Mus musculus [diethyl phthalate co-treated with Diethylhexyl Phthalate co-treated with Dibutyl Phthalate co-treated with diisononyl phthalate co-treated with diisobutyl phthalate co-treated with butylbenzyl phthalate] results in decreased expression of CASP8 mRNA affects^cotreatment|decreases^expression 28013214
7 84-69-5 CAT Mus musculus [diethyl phthalate co-treated with Diethylhexyl Phthalate co-treated with Dibutyl Phthalate co-treated with diisononyl phthalate co-treated with diisobutyl phthalate co-treated with butylbenzyl phthalate] results in decreased expression of CAT mRNA affects^cotreatment|decreases^expression 28013214
8 84-69-5 CCND2 Mus musculus [diethyl phthalate co-treated with Diethylhexyl Phthalate co-treated with Dibutyl Phthalate co-treated with diisononyl phthalate co-treated with diisobutyl phthalate co-treated with butylbenzyl phthalate] results in decreased expression of CCND2 mRNA affects^cotreatment|decreases^expression 28013214
9 84-69-5 CDKN2A Mus musculus [diethyl phthalate co-treated with Diethylhexyl Phthalate co-treated with Dibutyl Phthalate co-treated with diisononyl phthalate co-treated with diisobutyl phthalate co-treated with butylbenzyl phthalate] results in increased expression of CDKN2A mRNA affects^cotreatment|increases^expression 28013214
10 84-69-5 CYP11A1 Mus musculus [diethyl phthalate co-treated with Diethylhexyl Phthalate co-treated with Dibutyl Phthalate co-treated with diisononyl phthalate co-treated with diisobutyl phthalate co-treated with butylbenzyl phthalate] results in decreased expression of CYP11A1 mRNA affects^cotreatment|decreases^expression 28013214
11 84-69-5 CYP11A1 Rattus norvegicus diisobutyl phthalate results in decreased expression of CYP11A1 mRNA decreases^expression 21633115|22112501
12 84-69-5 CYP11A1 Rattus norvegicus diisobutyl phthalate results in decreased expression of CYP11A1 protein decreases^expression 16458459
13 84-69-5 CYP11B1 Rattus norvegicus diisobutyl phthalate results in decreased expression of CYP11B1 mRNA decreases^expression 22112501
14 84-69-5 CYP17A1 Rattus norvegicus diisobutyl phthalate results in decreased expression of CYP17A1 mRNA decreases^expression 22112501|28655647
15 84-69-5 CYP19A1 Mus musculus [diethyl phthalate co-treated with Diethylhexyl Phthalate co-treated with Dibutyl Phthalate co-treated with diisononyl phthalate co-treated with diisobutyl phthalate co-treated with butylbenzyl phthalate] results in decreased expression of CYP19A1 mRNA affects^cotreatment|decreases^expression 28013214
16 84-69-5 ESR1 Homo sapiens diisobutyl phthalate binds to and results in increased activity of ESR1 protein affects^binding|increases^activity 15840436|27633901
17 84-69-5 ESR1 Homo sapiens Tamoxifen inhibits the reaction [diisobutyl phthalate binds to and results in increased activity of ESR1 protein] affects^binding|decreases^reaction|increases^activity 15840436
18 84-69-5 ESR1 Mus musculus [diethyl phthalate co-treated with Diethylhexyl Phthalate co-treated with Dibutyl Phthalate co-treated with diisononyl phthalate co-treated with diisobutyl phthalate co-treated with butylbenzyl phthalate] results in decreased expression of ESR1 mRNA affects^cotreatment|decreases^expression 28013214
19 84-69-5 ESR2 Homo sapiens diisobutyl phthalate binds to and results in increased activity of ESR2 protein affects^binding|increases^activity 27633901
20 84-69-5 FLG Homo sapiens [FLG gene polymorphism affects the susceptibility to diisobutyl phthalate] which affects the abundance of mono-isobutyl phthalate affects^abundance|affects^response to substance 24380925
21 84-69-5 FSHR Mus musculus [diethyl phthalate co-treated with Diethylhexyl Phthalate co-treated with Dibutyl Phthalate co-treated with diisononyl phthalate co-treated with diisobutyl phthalate co-treated with butylbenzyl phthalate] results in decreased expression of FSHR mRNA affects^cotreatment|decreases^expression 28013214
22 84-69-5 GPX1 Mus musculus [diethyl phthalate co-treated with Diethylhexyl Phthalate co-treated with Dibutyl Phthalate co-treated with diisononyl phthalate co-treated with diisobutyl phthalate co-treated with butylbenzyl phthalate] results in decreased expression of GPX1 mRNA affects^cotreatment|decreases^expression 28013214
23 84-69-5 GSR Mus musculus [diethyl phthalate co-treated with Diethylhexyl Phthalate co-treated with Dibutyl Phthalate co-treated with diisononyl phthalate co-treated with diisobutyl phthalate co-treated with butylbenzyl phthalate] results in decreased expression of GSR mRNA affects^cotreatment|decreases^expression 28013214
24 84-69-5 HMGCR Rattus norvegicus diisobutyl phthalate results in decreased expression of HMGCR mRNA decreases^expression 28655647
25 84-69-5 HMGCS1 Rattus norvegicus diisobutyl phthalate results in decreased expression of HMGCS1 mRNA decreases^expression 28655647
26 84-69-5 HSD17B3 Rattus norvegicus diisobutyl phthalate results in increased expression of HSD17B3 mRNA increases^expression 28655647
27 84-69-5 HSD3B Rattus norvegicus diisobutyl phthalate results in decreased expression of HSD3B mRNA decreases^expression 22112501
28 84-69-5 HSD3B1 Mus musculus [diethyl phthalate co-treated with Diethylhexyl Phthalate co-treated with Dibutyl Phthalate co-treated with diisononyl phthalate co-treated with diisobutyl phthalate co-treated with butylbenzyl phthalate] results in decreased expression of HSD3B1 mRNA affects^cotreatment|decreases^expression 28013214
29 84-69-5 INSL3 Rattus norvegicus diisobutyl phthalate results in decreased expression of INSL3 mRNA decreases^expression 22112501
30 84-69-5 NR1I2 Homo sapiens diisobutyl phthalate results in increased activity of NR1I2 protein alternative form increases^activity 21227907
31 84-69-5 NR1I3 Homo sapiens diisobutyl phthalate binds to NR1I3 protein affects^binding 25938866
32 84-69-5 NR1I3 Homo sapiens [diisobutyl phthalate co-treated with Androstanols] results in increased activity of NR1I3 protein alternative form affects^cotreatment|increases^activity 21227907
33 84-69-5 NR1I3 Homo sapiens diisobutyl phthalate results in increased activity of NR1I3 protein alternative form increases^activity 21227907
34 84-69-5 PPARA Mus musculus [diethyl phthalate co-treated with Diethylhexyl Phthalate co-treated with Dibutyl Phthalate co-treated with diisononyl phthalate co-treated with diisobutyl phthalate co-treated with butylbenzyl phthalate] results in decreased expression of PPARA mRNA affects^cotreatment|decreases^expression 28013214
35 84-69-5 PPARG Homo sapiens diisobutyl phthalate binds to and results in increased activity of PPARG protein affects^binding|increases^activity 24155963|27633901
36 84-69-5 PPARG Homo sapiens diisobutyl phthalate results in increased activity of PPARG protein increases^activity 26172262
37 84-69-5 RXRG Rattus norvegicus diisobutyl phthalate results in decreased expression of RXRG mRNA decreases^expression 22112501
38 84-69-5 SCARB1 Rattus norvegicus diisobutyl phthalate results in decreased expression of SCARB1 mRNA decreases^expression 22112501|28655647
39 84-69-5 SOD1 Mus musculus [diethyl phthalate co-treated with Diethylhexyl Phthalate co-treated with Dibutyl Phthalate co-treated with diisononyl phthalate co-treated with diisobutyl phthalate co-treated with butylbenzyl phthalate] results in decreased expression of SOD1 mRNA affects^cotreatment|decreases^expression 28013214
40 84-69-5 SOX9 Rattus norvegicus diisobutyl phthalate results in increased expression of SOX9 mRNA increases^expression 22112501
41 84-69-5 STAR Mus musculus [diethyl phthalate co-treated with Diethylhexyl Phthalate co-treated with Dibutyl Phthalate co-treated with diisononyl phthalate co-treated with diisobutyl phthalate co-treated with butylbenzyl phthalate] results in decreased expression of STAR mRNA affects^cotreatment|decreases^expression 28013214
42 84-69-5 STAR Rattus norvegicus diisobutyl phthalate results in decreased expression of STAR mRNA decreases^expression 21633115|22112501|28655647
43 84-69-5 STAR Rattus norvegicus diisobutyl phthalate results in decreased expression of STAR protein decreases^expression 16458459
44 84-69-5 THRB Homo sapiens diisobutyl phthalate binds to and results in decreased activity of THRB protein affects^binding|decreases^activity 27633901
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 84-69-5 Diisobutyl Phthalate

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2D Structure

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