131-18-0,MFCD00041934
Catalog No.:AA000V7N

131-18-0 | 1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
>98.0%(GC)
in stock  
$69.00   $48.00
- +
100g
>98.0%(GC)
in stock  
$167.00   $117.00
- +
500g
>98.0%(GC)
in stock  
$474.00   $332.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000V7N
Chemical Name:
1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester
CAS Number:
131-18-0
Molecular Formula:
C18H26O4
Molecular Weight:
306.3966
MDL Number:
MFCD00041934
SMILES:
CCCCCOC(=O)c1ccccc1C(=O)OCCCCC
NSC Number:
4720
UN Number:
3082
Properties
Properties
 
BP:
342°C at 760 mmHg  
Form:
Liquid  
MP:
-55 °C  
Refractive Index:
n20/D 1.490  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
295  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
12  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5.8  

Upstream Synthesis Route

[1]SyntheticCommunications,1999,vol.29,#4,p.607-611

[2]OrganicPreparationsandProceduresInternational,2000,vol.32,#3,p.287-290

[3]KobunshiKagaku,1951,vol.8,p.85,91,103

[4]Chem.Abstr.,1953,p.7463

[1]Patent:US2130014,1935,,

Literature

Title: Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20180201

Title: Agonistic and antagonistic effects of phthalates and their urinary metabolites on the steroid hormone receptors ERα, ERβ, and AR.

Journal: Toxicology letters 20170805

Title: Establishing the 'Biological Relevance' of Dipentyl Phthalate Reductions in Fetal Rat Testosterone Production and Plasma and Testis Testosterone Levels.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20160101

Title: Comparison of toxicogenomic responses to phthalate ester exposure in an organotypic testis co-culture model and responses observed in vivo.

Journal: Reproductive toxicology (Elmsford, N.Y.) 20151201

Title: Structure-dependent activity of phthalate esters and phthalate monoesters binding to human constitutive androstane receptor.

Journal: Chemical research in toxicology 20150615

Title: Assessment of estrogenic potential of diethyl phthalate in female reproductive system involving both genomic and non-genomic actions.

Journal: Reproductive toxicology (Elmsford, N.Y.) 20141101

Title: Simvastatin and dipentyl phthalate lower ex vivo testicular testosterone production and exhibit additive effects on testicular testosterone and gene expression via distinct mechanistic pathways in the fetal rat.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20141001

Title: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor α, β, γ subtypes: an in silico approach.

Journal: Journal of applied toxicology : JAT 20140701

Title: Phthalate levels in cord blood are associated with preterm delivery and fetal growth parameters in Chinese women.

Journal: PloS one 20140101

Title: A screen for disruptors of the retinol (vitamin A) signaling pathway.

Journal: Birth defects research. Part B, Developmental and reproductive toxicology 20130601

Title: Genomic biomarkers of phthalate-induced male reproductive developmental toxicity: a targeted RT-PCR array approach for defining relative potency.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20120201

Title: Subcritical water extraction for the remediation of phthalate ester-contaminated soil.

Journal: Journal of hazardous materials 20110915

Title: Dose-response assessment of fetal testosterone production and gene expression levels in rat testes following in utero exposure to diethylhexyl phthalate, diisobutyl phthalate, diisoheptyl phthalate, and diisononyl phthalate.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20110901

Title: The design and use of a simple System Suitability Test Mix for generic reverse phase high performance liquid chromatography-mass spectrometry systems and the implications for automated system monitoring using global software tracking.

Journal: Journal of chromatography. A 20110610

Title: Dipentyl phthalate dosing during sexual differentiation disrupts fetal testis function and postnatal development of the male Sprague-Dawley rat with greater relative potency than other phthalates.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20110301

Title: Urinary and serum metabolites of di-n-pentyl phthalate in rats.

Journal: Chemosphere 20110101

Title: Enzymatic hydrolysis of structurally diverse phthalic acid esters by porcine and bovine pancreatic cholesterol esterases.

Journal: Chemosphere 20101201

Title: A predictive ligand-based Bayesian model for human drug-induced liver injury.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20101201

Title: Some flame retardants and the antimicrobials triclosan and triclocarban enhance the androgenic activity in vitro.

Journal: Chemosphere 20101101

Title: Removal of the endocrine disrupter butyl benzyl phthalate from the environment.

Journal: Applied microbiology and biotechnology 20100601

Title: Di-(2-ethylhexyl) phthalate enhances skin sensitization to isocyanate haptens in mice.

Journal: Toxicology letters 20100201

Title: Improving in vitro Sertoli cell/gonocyte co-culture model for assessing male reproductive toxicity: Lessons learned from comparisons of cytotoxicity versus genomic responses to phthalates.

Journal: Toxicology and applied pharmacology 20090915

Title: [Determination of trace phthalates in beer by gas chromatography coupled with solid-phase microextraction using a calix[6] arene fiber].

Journal: Se pu = Chinese journal of chromatography 20090501

Title: Hazard to the developing male reproductive system from cumulative exposure to phthalate esters--dibutyl phthalate, diisobutyl phthalate, butylbenzyl phthalate, diethylhexyl phthalate, dipentyl phthalate, and diisononyl phthalate.

Journal: Regulatory toxicology and pharmacology : RTP 20090301

Title: Effects of possible endocrine disruptors on MyD88-independent TLR4 signaling.

Journal: FEMS immunology and medical microbiology 20080301

Title: Acute adverse effects of the indenopyridine CDB-4022 on the ultrastructure of sertoli cells, spermatocytes, and spermatids in rat testes: comparison to the known sertoli cell toxicant Di-n-pentylphthalate (DPP).

Journal: Journal of andrology 20070101

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling 20061101

Title: Effects of possible endocrine disrupting chemicals on bacterial component-induced activation of NF-kappaB.

Journal: Biological & pharmaceutical bulletin 20061001

Title: [Determination of phthalic acid esters in textiles by solid phase extraction-gas chromatography].

Journal: Se pu = Chinese journal of chromatography 20060901

Title: Accelerated degradation of dipentyl phthalate by Fusarium oxysporum f. sp. pisi cutinase and toxicity evaluation of its degradation products using bioluminescent bacteria.

Journal: Current microbiology 20060501

Title: Gene expression profiling following in utero exposure to phthalate esters reveals new gene targets in the etiology of testicular dysgenesis.

Journal: Biology of reproduction 20050701

Title: Differential effects of phthalate esters on transcriptional activities via human estrogen receptors alpha and beta, and androgen receptor.

Journal: Toxicology 20050601

Title: Biodegradation of an endocrine-disrupting chemical, di-2-ethylhexyl phthalate, by Bacillus subtilis No. 66.

Journal: Applied microbiology and biotechnology 20050301

Title: Unequivocal estrogen receptor-binding affinity of phthalate esters featured with ring hydroxylation and proper alkyl chain size.

Journal: Archives of biochemistry and biophysics 20041101

Title: Suppression by phthalates of the calcium signaling of human nicotinic acetylcholine receptors in human neuroblastoma SH-SY5Y cells.

Journal: Toxicology 20040805

Title: Comparison of the Hershberger assay and androgen receptor binding assay of twelve chemicals.

Journal: Toxicology 20040215

Title: Determination of acetochlor in technical and formulated products by capillary gas chromatography: PVM 5:1999.

Journal: Journal of AOAC International 20010101

Title: Effect of DI-n-pentyl phthalate treatment on testicular steroidogenic enzymes and cytochrome P-450 in the rat.

Journal: Toxicology letters 19830201

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Additional Info:
SDS
Tags:131-18-0 Molecular Formula|131-18-0 MDL|131-18-0 SMILES|131-18-0 1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester
Catalog No.: AA000V7N
131-18-0,MFCD00041934
131-18-0 | 1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester
Pack Size: 25g
Purity: >98.0%(GC)
in stock
$69.00 $48.00
Pack Size: 100g
Purity: >98.0%(GC)
in stock
$167.00 $117.00
Pack Size: 500g
Purity: >98.0%(GC)
in stock
$474.00 $332.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000V7N
Chemical Name: 1,2-Benzenedicarboxylic acid, 1,2-dipentyl ester
CAS Number: 131-18-0
Molecular Formula: C18H26O4
Molecular Weight: 306.3966
MDL Number: MFCD00041934
SMILES: CCCCCOC(=O)c1ccccc1C(=O)OCCCCC
NSC Number: 4720
UN Number: 3082
Properties
BP: 342°C at 760 mmHg  
Form: Liquid  
MP: -55 °C  
Refractive Index: n20/D 1.490  
Storage: Keep in dry area;Room Temperature;  
Complexity: 295  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 22  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 12  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5.8  
Upstream Synthesis Route
85-44-9    71-41-0    131-18-0 

[1]SyntheticCommunications,1999,vol.29,#4,p.607-611

[2]OrganicPreparationsandProceduresInternational,2000,vol.32,#3,p.287-290

[3]KobunshiKagaku,1951,vol.8,p.85,91,103

[4]Chem.Abstr.,1953,p.7463

71-41-0    88-99-3    131-18-0 

[1]Patent:US2130014,1935,,

Literature fold

Title: Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay.

Journal: Toxicology in vitro : an international journal published in association with BIBRA20180201

Title: Agonistic and antagonistic effects of phthalates and their urinary metabolites on the steroid hormone receptors ERα, ERβ, and AR.

Journal: Toxicology letters20170805

Title: Establishing the 'Biological Relevance' of Dipentyl Phthalate Reductions in Fetal Rat Testosterone Production and Plasma and Testis Testosterone Levels.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20160101

Title: Comparison of toxicogenomic responses to phthalate ester exposure in an organotypic testis co-culture model and responses observed in vivo.

Journal: Reproductive toxicology (Elmsford, N.Y.)20151201

Title: Structure-dependent activity of phthalate esters and phthalate monoesters binding to human constitutive androstane receptor.

Journal: Chemical research in toxicology20150615

Title: Assessment of estrogenic potential of diethyl phthalate in female reproductive system involving both genomic and non-genomic actions.

Journal: Reproductive toxicology (Elmsford, N.Y.)20141101

Title: Simvastatin and dipentyl phthalate lower ex vivo testicular testosterone production and exhibit additive effects on testicular testosterone and gene expression via distinct mechanistic pathways in the fetal rat.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20141001

Title: Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor α, β, γ subtypes: an in silico approach.

Journal: Journal of applied toxicology : JAT20140701

Title: Phthalate levels in cord blood are associated with preterm delivery and fetal growth parameters in Chinese women.

Journal: PloS one20140101

Title: A screen for disruptors of the retinol (vitamin A) signaling pathway.

Journal: Birth defects research. Part B, Developmental and reproductive toxicology20130601

Title: Genomic biomarkers of phthalate-induced male reproductive developmental toxicity: a targeted RT-PCR array approach for defining relative potency.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20120201

Title: Subcritical water extraction for the remediation of phthalate ester-contaminated soil.

Journal: Journal of hazardous materials20110915

Title: Dose-response assessment of fetal testosterone production and gene expression levels in rat testes following in utero exposure to diethylhexyl phthalate, diisobutyl phthalate, diisoheptyl phthalate, and diisononyl phthalate.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20110901

Title: The design and use of a simple System Suitability Test Mix for generic reverse phase high performance liquid chromatography-mass spectrometry systems and the implications for automated system monitoring using global software tracking.

Journal: Journal of chromatography. A20110610

Title: Dipentyl phthalate dosing during sexual differentiation disrupts fetal testis function and postnatal development of the male Sprague-Dawley rat with greater relative potency than other phthalates.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20110301

Title: Urinary and serum metabolites of di-n-pentyl phthalate in rats.

Journal: Chemosphere20110101

Title: Enzymatic hydrolysis of structurally diverse phthalic acid esters by porcine and bovine pancreatic cholesterol esterases.

Journal: Chemosphere20101201

Title: A predictive ligand-based Bayesian model for human drug-induced liver injury.

Journal: Drug metabolism and disposition: the biological fate of chemicals20101201

Title: Some flame retardants and the antimicrobials triclosan and triclocarban enhance the androgenic activity in vitro.

Journal: Chemosphere20101101

Title: Removal of the endocrine disrupter butyl benzyl phthalate from the environment.

Journal: Applied microbiology and biotechnology20100601

Title: Di-(2-ethylhexyl) phthalate enhances skin sensitization to isocyanate haptens in mice.

Journal: Toxicology letters20100201

Title: Improving in vitro Sertoli cell/gonocyte co-culture model for assessing male reproductive toxicity: Lessons learned from comparisons of cytotoxicity versus genomic responses to phthalates.

Journal: Toxicology and applied pharmacology20090915

Title: [Determination of trace phthalates in beer by gas chromatography coupled with solid-phase microextraction using a calix[6] arene fiber].

Journal: Se pu = Chinese journal of chromatography20090501

Title: Hazard to the developing male reproductive system from cumulative exposure to phthalate esters--dibutyl phthalate, diisobutyl phthalate, butylbenzyl phthalate, diethylhexyl phthalate, dipentyl phthalate, and diisononyl phthalate.

Journal: Regulatory toxicology and pharmacology : RTP20090301

Title: Effects of possible endocrine disruptors on MyD88-independent TLR4 signaling.

Journal: FEMS immunology and medical microbiology20080301

Title: Acute adverse effects of the indenopyridine CDB-4022 on the ultrastructure of sertoli cells, spermatocytes, and spermatids in rat testes: comparison to the known sertoli cell toxicant Di-n-pentylphthalate (DPP).

Journal: Journal of andrology20070101

Title: Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.

Journal: Journal of molecular graphics & modelling20061101

Title: Effects of possible endocrine disrupting chemicals on bacterial component-induced activation of NF-kappaB.

Journal: Biological & pharmaceutical bulletin20061001

Title: [Determination of phthalic acid esters in textiles by solid phase extraction-gas chromatography].

Journal: Se pu = Chinese journal of chromatography20060901

Title: Accelerated degradation of dipentyl phthalate by Fusarium oxysporum f. sp. pisi cutinase and toxicity evaluation of its degradation products using bioluminescent bacteria.

Journal: Current microbiology20060501

Title: Gene expression profiling following in utero exposure to phthalate esters reveals new gene targets in the etiology of testicular dysgenesis.

Journal: Biology of reproduction20050701

Title: Differential effects of phthalate esters on transcriptional activities via human estrogen receptors alpha and beta, and androgen receptor.

Journal: Toxicology20050601

Title: Biodegradation of an endocrine-disrupting chemical, di-2-ethylhexyl phthalate, by Bacillus subtilis No. 66.

Journal: Applied microbiology and biotechnology20050301

Title: Unequivocal estrogen receptor-binding affinity of phthalate esters featured with ring hydroxylation and proper alkyl chain size.

Journal: Archives of biochemistry and biophysics20041101

Title: Suppression by phthalates of the calcium signaling of human nicotinic acetylcholine receptors in human neuroblastoma SH-SY5Y cells.

Journal: Toxicology20040805

Title: Comparison of the Hershberger assay and androgen receptor binding assay of twelve chemicals.

Journal: Toxicology20040215

Title: Determination of acetochlor in technical and formulated products by capillary gas chromatography: PVM 5:1999.

Journal: Journal of AOAC International20010101

Title: Effect of DI-n-pentyl phthalate treatment on testicular steroidogenic enzymes and cytochrome P-450 in the rat.

Journal: Toxicology letters19830201

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