DIHEXYL PHTHALATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H30O4
Molecular Weight	334.4498
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCOC(=O)C1=C(C=CC=C1)C(=O)OCCCCCC

InChI

InChIKey=KCXZNSGUUQJJTR-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C20H30O4
Molecular Weight	334.4498
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
Effects on male rats of di-(2-ethylhexyl) phthalate and di-n-hexylphthalate administered alone or in combination.	2001 Apr 8	11312035
An assessment of the toxicity of phthalate esters to freshwater benthos. 2. Sediment exposures.	2001 Aug	11491566
An assessment of the toxicity of phthalate esters to freshwater benthos. 1. Aqueous exposures.	2001 Aug	11491565
Occurrence and microbial degradation of phthalate esters in Taiwan river sediments.	2002 Dec	12489726
NTP Center for the Evaluation of Risks to Human Reproduction: phthalates expert panel report on the reproductive and developmental toxicity of di-n-hexyl phthalate.	2002 Sep-Oct	12406497
Effects and toxicity of phthalate esters to hemocytes of giant freshwater prawn, Macrobrachium rosenbergii.	2003 Jun 19	12763673
NTP-CERHR Monograph on the Potential Human Reproductive and Developmental Effects of Di-n-Hexyl Phthalate (DnHP).	2003 May	15995729
Biodegradation of phthalate esters by two bacteria strains.	2004 Apr	15006506
Suppression by phthalates of the calcium signaling of human nicotinic acetylcholine receptors in human neuroblastoma SH-SY5Y cells.	2004 Aug 5	15212808
Unequivocal estrogen receptor-binding affinity of phthalate esters featured with ring hydroxylation and proper alkyl chain size.	2004 Nov 1	15464722
Alkyl phenols and diethylhexyl phthalate in tissues of sheep grazing pastures fertilized with sewage sludge or inorganic fertilizer.	2005 Apr	15811823
The toxic effect of phthalate esters on immune responses of giant freshwater prawn (Macrobrachium rosenbergii) via oral treatment.	2005 Aug 30	15993956
Differential effects of phthalate esters on transcriptional activities via human estrogen receptors alpha and beta, and androgen receptor.	2005 Jun 1	15840436
Primary and secondary relaxations in bis-5-hydroxypentylphthalate revisited.	2005 Nov 22	16351281
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524
Effects of possible endocrine disrupting chemicals on bacterial component-induced activation of NF-kappaB.	2006 Oct	17015962
[Determination of phthalic acid esters in textiles by solid phase extraction-gas chromatography].	2006 Sep	17165549
Enhanced degradation and toxicity reduction of dihexyl phthalate by Fusarium oxysporum f. sp. pisi cutinase.	2007 Jan	17184338
[Acclimating, screening of dominant bacteria for degrading phthalic acid esters and study on its degradation].	2007 Nov	18303624
Thermoreversible gelation of poly(vinylidene fluoride) in phthalates: the influence of aliphatic chain length of solvents.	2008 Apr 17	18366217
Determination of phthalates and adipate in bottled water by headspace solid-phase microextraction and gas chromatography/mass spectrometry.	2008 Jan 18	18082753
Effects of possible endocrine disruptors on MyD88-independent TLR4 signaling.	2008 Mar	18177342
Toxicity of seven phthalate esters to embryonic development of the abalone Haliotis diversicolor supertexta.	2009 Apr	19030987
Differential developmental toxicities of di-n-hexyl phthalate and dicyclohexyl phthalate administered orally to rats.	2009 Aug	19391110
Effects of in utero exposure to di-n-hexyl phthalate on the reproductive development of the male rat.	2009 Dec	19577633
Genetic and environmental pathways to complex diseases.	2009 May 5	19416532
Enzymatic hydrolysis of structurally diverse phthalic acid esters by porcine and bovine pancreatic cholesterol esterases.	2010 Dec	20822795
Removal of the endocrine disrupter butyl benzyl phthalate from the environment.	2010 Jun	20396882
Genomic biomarkers of phthalate-induced male reproductive developmental toxicity: a targeted RT-PCR array approach for defining relative potency.	2012 Feb	22112501
Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor α, β, γ subtypes: an in silico approach.	2014 Jul	23843199
Assessment of estrogenic potential of diethyl phthalate in female reproductive system involving both genomic and non-genomic actions.	2014 Nov	24994688
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 `Fri Dec 15 18:38:17 GMT 2023` Edited by `admin` on `Fri Dec 15 18:38:17 GMT 2023`
Record UNII	42MAH1QFG5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIHEXYL PHTHALATE

Systematic Name

English

NSC-4817

Code

English

1,2-BENZENEDICARBOXYLIC ACID, DIHEXYL ESTER

Common Name

English

DI-N-HEXYL PHTHALATE

Common Name

English

DIHEXYL BENZENE-1,2-DICARBOXYLATE

Systematic Name

English

DIHEXYL PHTHALATE [HSDB]

Common Name

English

Code System Code Type Description

HSDB

4490