3648-21-3,MFCD00043680
Catalog No.:AA00I75L

3648-21-3 | 1,2-Benzenedicarboxylic acid, diheptyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98+%
in stock  
$14.00   $10.00
- +
5g
98+%
in stock  
$52.00   $37.00
- +
25g
98+%
in stock  
$146.00   $102.00
- +
100g
98
in stock  
$414.00   $290.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00I75L
Chemical Name:
1,2-Benzenedicarboxylic acid, diheptyl ester
CAS Number:
3648-21-3
Molecular Formula:
C22H34O4
Molecular Weight:
362.5030
MDL Number:
MFCD00043680
SMILES:
CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC
Properties
Computed Properties
 
Complexity:
344  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
16  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
8  

Downstream Synthesis Route

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

[2]Sah;Kao[JournaloftheChineseChemicalSociety(Peking),1937,vol.5,p.86]

[3]CurrentPatentAssignee:KAYFRIESCHEMICALS-US2412469,1943,A

[1]Hsu[JournaloftheChineseChemicalSociety(Peking),1947,vol.15,p.204]

Literature

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: 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: Twenty-six-week oral toxicity of diheptyl phthalate with special emphasis on its induction of liver proliferative lesions in male F344 rats.

Journal: The Journal of toxicological sciences 20120101

Title: Prenatal developmental toxicity studies on di-n-heptyl and di-n-octyl phthalates in Sprague-Dawley rats.

Journal: Reproductive toxicology (Elmsford, N.Y.) 20111101

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

Journal: Journal of hazardous materials 20110915

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

Journal: Toxicology letters 20100201

Title: Induction of liver preneoplastic foci in F344 rats subjected to 28-day oral administration of diheptyl phthalate and its in vivo genotoxic potential.

Journal: Toxicology 20091001

Title: Chemical analysis and risk assessment of diethyl phthalate in alcoholic beverages with special regard to unrecorded alcohol.

Journal: PloS one 20090101

Title: Removal of phthalate esters by alpha-cyclodextrin-linked chitosan bead.

Journal: Bioresource technology 20070901

Title: Hershberger assay for antiandrogenic effects of phthalates.

Journal: Journal of toxicology and environmental health. Part A 20070801

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

Journal: Journal of molecular graphics & modelling 20061101

Title: An assessment of the potential developmental and reproductive toxicity of di-isoheptyl phthalate in rodents.

Journal: Reproductive toxicology (Elmsford, N.Y.) 20060401

Title: Removal of phthalate esters from aqueous solutions by chitosan bead.

Journal: Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering 20060101

Title: Migration of contaminants by gas phase transfer from carton board and corrugated board box secondary packaging into foods.

Journal: Food additives and contaminants 20050801

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: High-performance liquid chromatographic method for the determination of di(2-ethylhexyl) phthalate in total parenteral nutrition and in plasma.

Journal: Journal of chromatography. B, Biomedical sciences and applications 20010505

Title: [Contents of phthalate in polyvinyl chloride toys].

Journal: Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20010201

Quotation Request
Company Name:
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Quantity Required:
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Additional Info:
SDS
Tags:3648-21-3 Molecular Formula|3648-21-3 MDL|3648-21-3 SMILES|3648-21-3 1,2-Benzenedicarboxylic acid, diheptyl ester
Catalog No.: AA00I75L
3648-21-3,MFCD00043680
3648-21-3 | 1,2-Benzenedicarboxylic acid, diheptyl ester
Pack Size: 1g
Purity: 98+%
in stock
$14.00 $10.00
Pack Size: 5g
Purity: 98+%
in stock
$52.00 $37.00
Pack Size: 25g
Purity: 98+%
in stock
$146.00 $102.00
Pack Size: 100g
Purity: 98
in stock
$414.00 $290.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00I75L
Chemical Name: 1,2-Benzenedicarboxylic acid, diheptyl ester
CAS Number: 3648-21-3
Molecular Formula: C22H34O4
Molecular Weight: 362.5030
MDL Number: MFCD00043680
SMILES: CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC
Properties
Complexity: 344  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 26  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 16  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 8  
Downstream Synthesis Route
85-44-9    111-70-6    3648-21-3 

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

[2]Sah;Kao[JournaloftheChineseChemicalSociety(Peking),1937,vol.5,p.86]

[3]CurrentPatentAssignee:KAYFRIESCHEMICALS-US2412469,1943,A

85-44-9    111-70-6    71-43-2    3648-21-3 

[1]Hsu[JournaloftheChineseChemicalSociety(Peking),1947,vol.15,p.204]

Literature fold

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: 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: Twenty-six-week oral toxicity of diheptyl phthalate with special emphasis on its induction of liver proliferative lesions in male F344 rats.

Journal: The Journal of toxicological sciences20120101

Title: Prenatal developmental toxicity studies on di-n-heptyl and di-n-octyl phthalates in Sprague-Dawley rats.

Journal: Reproductive toxicology (Elmsford, N.Y.)20111101

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

Journal: Journal of hazardous materials20110915

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

Journal: Toxicology letters20100201

Title: Induction of liver preneoplastic foci in F344 rats subjected to 28-day oral administration of diheptyl phthalate and its in vivo genotoxic potential.

Journal: Toxicology20091001

Title: Chemical analysis and risk assessment of diethyl phthalate in alcoholic beverages with special regard to unrecorded alcohol.

Journal: PloS one20090101

Title: Removal of phthalate esters by alpha-cyclodextrin-linked chitosan bead.

Journal: Bioresource technology20070901

Title: Hershberger assay for antiandrogenic effects of phthalates.

Journal: Journal of toxicology and environmental health. Part A20070801

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

Journal: Journal of molecular graphics & modelling20061101

Title: An assessment of the potential developmental and reproductive toxicity of di-isoheptyl phthalate in rodents.

Journal: Reproductive toxicology (Elmsford, N.Y.)20060401

Title: Removal of phthalate esters from aqueous solutions by chitosan bead.

Journal: Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering20060101

Title: Migration of contaminants by gas phase transfer from carton board and corrugated board box secondary packaging into foods.

Journal: Food additives and contaminants20050801

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: High-performance liquid chromatographic method for the determination of di(2-ethylhexyl) phthalate in total parenteral nutrition and in plasma.

Journal: Journal of chromatography. B, Biomedical sciences and applications20010505

Title: [Contents of phthalate in polyvinyl chloride toys].

Journal: Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan20010201

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