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131-16-8 | 1,2-Benzenedicarboxylic acid, 1,2-dipropyl ester
CAS No: 131-16-8 Catalog No: AG000VAH MDL No:MFCD00009371
Product Description
Catalog Number:
AG000VAH
Chemical Name:
1,2-Benzenedicarboxylic acid, 1,2-dipropyl ester
CAS Number:
131-16-8
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
MDL Number:
MFCD00009371
IUPAC Name:
dipropyl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3
InChI Key:
MQHNKCZKNAJROC-UHFFFAOYSA-N
SMILES:
CCCOC(=O)c1ccccc1C(=O)OCCC
EC Number:
205-015-8
UNII:
8USP5Y77SS
NSC Number:
15314
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay. | Toxicology in vitro : an international journal published in association with BIBRA 20180201 |
| Cytochrome P450-inhibitory activity of parabens and phthalates used in consumer products. | The Journal of toxicological sciences 20160101 |
| Structure-dependent activity of phthalate esters and phthalate monoesters binding to human constitutive androstane receptor. | Chemical research in toxicology 20150615 |
| Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor α, β, γ subtypes: an in silico approach. | Journal of applied toxicology : JAT 20140701 |
| Endocrine disruptors and asthma-associated chemicals in consumer products. | Environmental health perspectives 20120701 |
| Easy synthesis of surface-tunable carbon-encapsulated magnetic nanoparticles: adsorbents for selective isolation and preconcentration of organic pollutants. | ACS applied materials & interfaces 20120101 |
| Differential immune responses of the green neon shrimp (Neocaridina denticulate) to dipropyl phthalate. | Fish & shellfish immunology 20110901 |
| Comparison of nonideal sorption formulations in modeling the transport of phthalate esters through packed soil columns. | Journal of contaminant hydrology 20110701 |
| Developmental toxic potential of di-n-propyl phthalate administered orally to rats. | Journal of applied toxicology : JAT 20110101 |
| Enzymatic hydrolysis of structurally diverse phthalic acid esters by porcine and bovine pancreatic cholesterol esterases. | Chemosphere 20101201 |
| Phthalate esters reveal skin-sensitizing activity of phenethyl isothiocyanate in mice. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20100601 |
| Removal of the endocrine disrupter butyl benzyl phthalate from the environment. | Applied microbiology and biotechnology 20100601 |
| Preparation of a chitosan-coated C(18)-functionalized magnetite nanoparticle sorbent for extraction of phthalate ester compounds from environmental water samples. | Analytical and bioanalytical chemistry 20100501 |
| Di-(2-ethylhexyl) phthalate enhances skin sensitization to isocyanate haptens in mice. | Toxicology letters 20100201 |
| Determination of phthalates in fruit jellies by dispersive SPE coupled with HPLC-MS. | Journal of separation science 20100201 |
| Structure-dependent inhibition of human and rat 11beta-hydroxysteroid dehydrogenase 2 activities by phthalates. | Chemico-biological interactions 20100105 |
| Effects of possible endocrine disruptors on MyD88-independent TLR4 signaling. | FEMS immunology and medical microbiology 20080301 |
| [Simultaneous determination of phthalates and parabens in cosmetic products by gas chromatography/mass spectrometry coupled with solid phase extraction]. | Se pu = Chinese journal of chromatography 20070301 |
| Simultaneous determination of seven phthalates and four parabens in cosmetic products using HPLC-DAD and GC-MS methods. | Journal of separation science 20070101 |
| Effects of phthalate esters on dendritic cell subsets and interleukin-4 production in fluorescein isothiocyanate-induced contact hypersensitivity. | Microbiology and immunology 20070101 |
| Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. | Journal of molecular graphics & modelling 20061101 |
| Effects of phthalate esters on the sensitization phase of contact hypersensitivity induced by fluorescein isothiocyanate. | Clinical and experimental allergy : journal of the British Society for Allergy and Clinical Immunology 20061101 |
| Effects of possible endocrine disrupting chemicals on bacterial component-induced activation of NF-kappaB. | Biological & pharmaceutical bulletin 20061001 |
| [Determination of phthalic acid esters in textiles by solid phase extraction-gas chromatography]. | Se pu = Chinese journal of chromatography 20060901 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Biodegradation of dipropyl phthalate and toxicity of its degradation products: a comparison of Fusarium oxysporum f. sp. pisi cutinase and Candida cylindracea esterase. | Archives of microbiology 20051001 |
| The toxic effect of phthalate esters on immune responses of giant freshwater prawn (Macrobrachium rosenbergii) via oral treatment. | Aquatic toxicology (Amsterdam, Netherlands) 20050830 |
| Simultaneous screening and determination eight phthalates in plastic products for food use by sonication-assisted extraction/GC-MS methods. | Talanta 20050430 |
| Biodegradation of an endocrine-disrupting chemical, di-2-ethylhexyl phthalate, by Bacillus subtilis No. 66. | Applied microbiology and biotechnology 20050301 |
| Unequivocal estrogen receptor-binding affinity of phthalate esters featured with ring hydroxylation and proper alkyl chain size. | Archives of biochemistry and biophysics 20041101 |
| Suppression by phthalates of the calcium signaling of human nicotinic acetylcholine receptors in human neuroblastoma SH-SY5Y cells. | Toxicology 20040805 |
| Biodegradation of phthalate esters by two bacteria strains. | Chemosphere 20040401 |
| Simple and rapid analysis of endocrine disruptors in liquid medicines and intravenous injection solutions by automated in-tube solid-phase microextraction/high performance liquid chromatography. | Journal of pharmaceutical and biomedical analysis 20030714 |
| Occurrence and microbial degradation of phthalate esters in Taiwan river sediments. | Chemosphere 20021201 |
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