Home Carboxys 1,2-Benzenedicarboxylic acid, diheptyl ester

1,2-Benzenedicarboxylic acid, diheptyl ester

CAS No.:
3648-21-3
Catalog Number:
AG00I78D
Molecular Formula:
C22H34O4
Molecular Weight:
362.5030
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Product Description
Catalog Number:
AG00I78D
Chemical Name:
1,2-Benzenedicarboxylic acid, diheptyl ester
CAS Number:
3648-21-3
Molecular Formula:
C22H34O4
Molecular Weight:
362.5030
MDL Number:
MFCD00043680
IUPAC Name:
diheptyl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C22H34O4/c1-3-5-7-9-13-17-25-21(23)19-15-11-12-16-20(19)22(24)26-18-14-10-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3
InChI Key:
JQCXWCOOWVGKMT-UHFFFAOYSA-N
SMILES:
CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC
EC Number:
222-885-4
UNII:
IE05VO8P8P
RTECS Number:
TI1090000
Properties
Complexity:
344  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.246g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.51g/mol
Monoisotopic Mass:
362.246g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8  
Literature
Title Journal
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
Genomic biomarkers of phthalate-induced male reproductive developmental toxicity: a targeted RT-PCR array approach for defining relative potency. Toxicological sciences : an official journal of the Society of Toxicology 20120201
Twenty-six-week oral toxicity of diheptyl phthalate with special emphasis on its induction of liver proliferative lesions in male F344 rats. The Journal of toxicological sciences 20120101
Prenatal developmental toxicity studies on di-n-heptyl and di-n-octyl phthalates in Sprague-Dawley rats. Reproductive toxicology (Elmsford, N.Y.) 20111101
Subcritical water extraction for the remediation of phthalate ester-contaminated soil. Journal of hazardous materials 20110915
Di-(2-ethylhexyl) phthalate enhances skin sensitization to isocyanate haptens in mice. Toxicology letters 20100201
Induction of liver preneoplastic foci in F344 rats subjected to 28-day oral administration of diheptyl phthalate and its in vivo genotoxic potential. Toxicology 20091001
Chemical analysis and risk assessment of diethyl phthalate in alcoholic beverages with special regard to unrecorded alcohol. PloS one 20090101
Removal of phthalate esters by alpha-cyclodextrin-linked chitosan bead. Bioresource technology 20070901
Hershberger assay for antiandrogenic effects of phthalates. Journal of toxicology and environmental health. Part A 20070801
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
An assessment of the potential developmental and reproductive toxicity of di-isoheptyl phthalate in rodents. Reproductive toxicology (Elmsford, N.Y.) 20060401
Removal of phthalate esters from aqueous solutions by chitosan bead. Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering 20060101
Migration of contaminants by gas phase transfer from carton board and corrugated board box secondary packaging into foods. Food additives and contaminants 20050801
Unequivocal estrogen receptor-binding affinity of phthalate esters featured with ring hydroxylation and proper alkyl chain size. Archives of biochemistry and biophysics 20041101
High-performance liquid chromatographic method for the determination of di(2-ethylhexyl) phthalate in total parenteral nutrition and in plasma. Journal of chromatography. B, Biomedical sciences and applications 20010505
[Contents of phthalate in polyvinyl chloride toys]. Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20010201
Properties