DIISOBUTYL PHTHALATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H22O4
Molecular Weight	278.3435
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)COC(=O)C1=C(C=CC=C1)C(=O)OCC(C)C

InChI

InChIKey=MGWAVDBGNNKXQV-UHFFFAOYSA-N

InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3

HIDE SMILES / InChI

Molecular Formula	C16H22O4
Molecular Weight	278.3435
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens.	2001 Mar	11258977
Prenatal exposures to phthalates among women in New York City and Krakow, Poland.	2003 Nov	14594621
Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor.	2003 Oct	14565775
Pesticide and plasticizer residues in bergamot essential oils from Calabria (Italy).	2004 Aug	15251292
The association between asthma and allergic symptoms in children and phthalates in house dust: a nested case-control study.	2004 Oct	15471731
Differential effects of phthalate esters on transcriptional activities via human estrogen receptors alpha and beta, and androgen receptor.	2005 Jun 1	15840436
[Chemical constituents from marine alga Chaetomorpha basiretorsa].	2005 Mar	15806966
Occurrence of endocrine-disrupting compounds in reclaimed water from Tianjin, China.	2005 Nov	16189677
Automated solid-phase extraction and quantitative analysis of 14 phthalate metabolites in human serum using isotope dilution-high-performance liquid chromatography-tandem mass spectrometry.	2005 Nov-Dec	16374941
Phthalates in indoor dust and their association with building characteristics.	2005 Oct	16203254
[Levels of selected organochlorine insecticides, polychlorinated biphenyls, phthalates and perfluorinated aliphatic substances in blood--Polish WWF study].	2006	17044303
Developmental toxic effects of diisobutyl phthalate, the methyl-branched analogue of di-n-butyl phthalate, administered by gavage to rats.	2006 Aug 1	16516415
[GC-MS analysis of the fatty components of pollen Typhae before and after being carbonized].	2006 Feb	16572997
Estimated daily phthalate exposures in a population of mothers of male infants exhibiting reduced anogenital distance.	2006 Jun	16759976
Diisobutyl phthalate has comparable anti-androgenic effects to di-n-butyl phthalate in fetal rat testis.	2006 Jun 1	16458459
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524
Diisobutyl phthalate degradation by Fenton treatment.	2007 Apr	17454364
Direct oxidation of n-heptane to ester over modified sulfated SnO2 catalysts under mild conditions.	2007 Aug 25	17321046
Pilot study of urinary biomarkers of phytoestrogens, phthalates, and phenols in girls.	2007 Jan	17366830
Occurrence and air-sea exchange of phthalates in the Arctic.	2007 Jul 1	17695896
Reliability of fibres in solid-phase microextraction for routine analysis of the headspace of aromatic and medicinal plants.	2007 Jun 8	17331518
[Simultaneous determination of phthalates and parabens in cosmetic products by gas chromatography/mass spectrometry coupled with solid phase extraction].	2007 Mar	17580703
Glass transition dynamics and boiling temperatures of molecular liquids and their isomers.	2007 Mar 29	17388430
Internal phthalate exposure over the last two decades--a retrospective human biomonitoring study.	2007 May	17400024
Migration of organic compounds from a multilayer plastic-paper material intended for food packaging.	2007 Sep	17680237
Characterization of phthalate exposure among pregnant women assessed by repeat air and urine samples.	2008 Apr	18414628
Assessing human exposure to phthalic acid and phthalate esters from mineral water stored in polyethylene terephthalate and glass bottles.	2008 Apr	18348049
Phthalates: metabolism and exposure.	2008 Apr	18070048
Analysis of di-n-butyl phthalate and other organic pollutants in Chongqing women undergoing parturition.	2008 Dec	18565632
Determination of phthalates and adipate in bottled water by headspace solid-phase microextraction and gas chromatography/mass spectrometry.	2008 Jan 18	18082753
The role of exposure to phthalates from polyvinyl chloride products in the development of asthma and allergies: a systematic review and meta-analysis.	2008 Jul	18629304
Phthalate esters (PAEs): emerging organic contaminants in agricultural soils in peri-urban areas around Guangzhou, China.	2008 Nov	18343547
Diisobutyl phthalate impairs the androgen-dependent reproductive development of the male rat.	2008 Oct	18706996
A mixture of five phthalate esters inhibits fetal testicular testosterone production in the sprague-dawley rat in a cumulative, dose-additive manner.	2008 Sep	18411233
Impact of diisobutyl phthalate and other PPAR agonists on steroidogenesis and plasma insulin and leptin levels in fetal rats.	2008 Sep 4	18602967
Effect of asafoetida extract on growth and quality of Pleurotus ferulic.	2009 Dec 29	20162000
Lactational exposure to phthalates in Southern Italy.	2009 Feb	18684505
[Antifungal sctivities and stability of extracts from culture liquid of Hypoxylon perforatum to Sphaeropsis sapinea].	2009 Jul	19873755
A two-component female-produced pheromone of the spider Pholcus beijingensis.	2009 Jul	19579045
Genetic and environmental pathways to complex diseases.	2009 May 5	19416532
Urinary phthalate metabolites in relation to preterm birth in Mexico city.	2009 Oct	20019910
Seasonal distribution of phthalate esters in surface water of the urban lakes in the subtropical city, Guangzhou, China.	2009 Sep 30	19442444
[Distribution characteristics of phthalic acid esters in soils and plants at e-waste recycling sites in Taizhou of Zhejiang, China].	2010 Feb	20462025
Distribution of phthalate esters in alluvial sediment: a case study at JiangHan Plain, Central China.	2010 Jan	20006896
Influence of a five-day vegetarian diet on urinary levels of antibiotics and phthalate metabolites: a pilot study with "Temple Stay" participants.	2010 May	20227070
α-Glucosidase inhibition and the in vivo hypoglycemic effect of butyl-isobutyl-phthalate derived from the Laminaria japonica rhizoid.	2010 Nov	21031613
Semivolatile endocrine-disrupting compounds in paired indoor and outdoor air in two northern California communities.	2010 Sep 1	20681565
Evaluation of a screening system for obesogenic compounds: screening of endocrine disrupting compounds and evaluation of the PPAR dependency of the effect.	2013	24155963
Structure-dependent activity of phthalate esters and phthalate monoesters binding to human constitutive androstane receptor.	2015 Jun 15	25938866

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 02:13:50 GMT 2023` Edited by `admin` on `Sat Dec 16 02:13:50 GMT 2023`
Record UNII	IZ67FTN290
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIISOBUTYL PHTHALATE

Systematic Name

English

NSC-15316

Code

English

Code System Code Type Description

FDA UNII

IZ67FTN290