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123-79-5 | Hexanedioic acid, 1,6-dioctyl ester
CAS No: 123-79-5 Catalog No: AG000JXV MDL No:
Product Description
Catalog Number:
AG000JXV
Chemical Name:
Hexanedioic acid, 1,6-dioctyl ester
CAS Number:
123-79-5
Molecular Formula:
C22H42O4
Molecular Weight:
370.5665
IUPAC Name:
dioctyl hexanedioate
InChI:
InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3
InChI Key:
NEHDRDVHPTWWFG-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC
EC Number:
204-652-9
UNII:
2BD76YG9SI
NSC Number:
16201
FEMA Number:
4476
UN Number:
3082
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.308g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.574g/mol
Monoisotopic Mass:
370.308g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
Literature
| Title | Journal |
|---|---|
| Analysis of phthalic acid diesters, monoester, and other plasticizers in polyvinyl chloride household products in Japan. | Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering 20110101 |
| Application of artificial neural network for yield prediction of lipase-catalyzed synthesis of dioctyl adipate. | Applied biochemistry and biotechnology 20090901 |
| Comparison of solidification of floating drop and homogenous liquid-liquid microextractions for the extraction of two plasticizers from the water kept in PET-bottles. | Journal of separation science 20090901 |
| The effect of priming solutions and storage time on plasticizer migration in different PVC tubing types--implications for wet storage of ECMO systems. | The journal of extra-corporeal technology 20090701 |
| Collaborative work on evaluation of ovarian toxicity. 9) Effects of 2- or 4-week repeated dose studies and fertility study of di(2-ethylhexyl)adipate (DEHA) in female rats. | The Journal of toxicological sciences 20090101 |
| Aqueous solubility and Daphnia magna chronic toxicity of di(2-ethylhexyl) adipate. | Bulletin of environmental contamination and toxicology 20080601 |
| Plasticizers and their degradation products in the process streams of a large urban physicochemical sewage treatment plant. | Water research 20080101 |
| Atrazine-induced aromatase expression is SF-1 dependent: implications for endocrine disruption in wildlife and reproductive cancers in humans. | Environmental health perspectives 20070501 |
| The debittering of navel orange juice using polymeric films. | Journal of food science 20070501 |
| Trace phthalate and adipate esters contaminated in packaged food. | Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20070101 |
| Toxicity of di(2-ethylhexyl)phthalate (DEHP) and di(2-ethylhexyl)adipate (DEHA) under conditions of renal dysfunction induced with folic acid in rats: enhancement of male reproductive toxicity of DEHP is associated with an increase of the mono-derivative. | Reproductive toxicology (Elmsford, N.Y.) 20061001 |
| Metabolites from the biodegradation of di-ester plasticizers by Rhodococcus rhodochrous. | The Science of the total environment 20060731 |
| Considerations on ultra-trace analysis of phthalates in drinking water. | Water research 20060701 |
| Extractables/leachables from plastic tubing used in product manufacturing. | International journal of pharmaceutics 20060606 |
| Fungal colonization of soil-buried plasticized polyvinyl chloride (pPVC) and the impact of incorporated biocides. | Microbiology (Reading, England) 20060601 |
| Amodiaquine polymeric membrane electrode. | Journal of pharmaceutical and biomedical analysis 20060411 |
| Plasticizers in Brazilian food-packaging materials acquired on the retail market. | Food additives and contaminants 20060101 |
| Dietary exposure to chemical migrants from food contact materials: a probabilistic approach. | Food additives and contaminants 20051001 |
| Antiandrogenic effects in male rats perinatally exposed to a mixture of di(2-ethylhexyl) phthalate and di(2-ethylhexyl) adipate. | Reproductive toxicology (Elmsford, N.Y.) 20050101 |
| Early testicular effects in rats perinatally exposed to DEHP in combination with DEHA--apoptosis assessment and immunohistochemical studies. | Reproductive toxicology (Elmsford, N.Y.) 20050101 |
| Identification and quantification of n-octyl esters of alkanoic and hexanedioic acids and phthalates as urban wastewater markers in biota and sediments from estuarine areas. | Journal of chromatography. A 20040813 |
| DHEA and DHEA sulfate differentially regulate neural androgen receptor and its transcriptional activity. | Brain research. Molecular brain research 20040726 |
| Steroidogenesis in fetal male rats is reduced by DEHP and DINP, but endocrine effects of DEHP are not modulated by DEHA in fetal, prepubertal and adult male rats. | Reproductive toxicology (Elmsford, N.Y.) 20040101 |
| Estimated daily intake of plasticizers in 1-week duplicate diet samples following regulation of DEHP-containing PVC gloves in Japan. | Food additives and contaminants 20030401 |
| Direct analysis of plasticizers in aqueous samples by atmospheric pressure chemical ionization-tandem mass spectrometry (APCI-MS-MS). | Journal of analytical toxicology 20030101 |
| Dehydroepiandrosterone 7-hydroxylase CYP7B: predominant expression in primate hippocampus and reduced expression in Alzheimer's disease. | Neuroscience 20030101 |
| Supercritical fluid extraction of potential migrants from paper and board intended for use as food packaging materials. | Analytical chemistry 20021115 |
| Eleven phthalate esters and di(2-ethylhexyl) adipate in one-week duplicate diet samples obtained from hospitals and their estimated daily intake. | Food additives and contaminants 20010501 |
| [Contents of phthalate in polyvinyl chloride toys]. | Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20010201 |
| Secondary metabolites from a Streptomyces strain isolated from Livingston Island, Antarctica. | Zeitschrift fur Naturforschung. C, Journal of biosciences 20010101 |
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