Di-n-octyl adipate | CAS#123-79-5| bioactive chemcial

Di-n-octyl adipate
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 591159

CAS#: 123-79-5

Description: Dioctyl adipate (DOA) is an organic compound with the formula (CH2CH2CO2C8H17)2. It is a colorless oily liquid. As well as related diesters derived from 2-ethylhexanol, decanol, isodecanol, etc, it is used as a plasticizer. It is used in proteomics research.

Chemical Structure

Di-n-octyl adipate

CAS# 123-79-5

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 591159
Name: Di-n-octyl adipate
CAS#: 123-79-5
Chemical Formula: C22H42O4
Exact Mass: 370.31
Molecular Weight: 370.574
Elemental Analysis: C, 71.31; H, 11.42; O, 17.27

Price and Availability

Size	Price	Availability	Quantity
25g	USD 350	2 weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: Di-n-octyl adipate; NSC 16201; NSC-16201; NSC16201

IUPAC/Chemical Name: Hexanedioic acid, 1,6-dioctyl ester

InChi Key: NEHDRDVHPTWWFG-UHFFFAOYSA-N

InChi Code: 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

SMILES Code: O=C(OCCCCCCCC)CCCCC(OCCCCCCCC)=O

Appearance: Liquid

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

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Product Data:

Product Data

Instruction:

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Biological target:	Dioctyl adipate (DOA) is used as a plasticizer.
In vitro activity:	The plasticizer is essential and must be physically compatible with the polymer. To obtain a homogenous organic phase, plasticizers such as DBP, TBP, DOP, o-NPOE and DOA were screened. As shown in Fig. 2, it was established that the membranes including DBP, TBP, DOP and o-NPOE did not obtain a suitable band due to either improper physical features with LPVC or the leakage of CPDB from the membrane. It was established that DOA was the optimum choice due to its better physical characteristics as well as its maximum sensitivity and minimum leakage. Reference: RSC Adv. 2022 Jun 22;12(29):18431-18440. https://pubmed.ncbi.nlm.nih.gov/35799938/
In vivo activity:	TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 370.57 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:	1. El-Feky HH, Amin AS, Moustafa EMI. Utilization of a plasticized PVC optical sensor for the selective and efficient detection of cobalt(ii) in environmental samples. RSC Adv. 2022 Jun 22;12(29):18431-18440. doi: 10.1039/d2ra03129a. PMID: 35799938; PMCID: PMC9215704. 2. Wang Z, Tang Y, Li B. Bicontinuous and cellular structure design of PVDF membranes by using binary solvents for the membrane distillation process. RSC Adv. 2018 Jul 13;8(44):25159-25167. doi: 10.1039/c8ra02692k. PMID: 35542127; PMCID: PMC9082393.
In vitro protocol:	1. El-Feky HH, Amin AS, Moustafa EMI. Utilization of a plasticized PVC optical sensor for the selective and efficient detection of cobalt(ii) in environmental samples. RSC Adv. 2022 Jun 22;12(29):18431-18440. doi: 10.1039/d2ra03129a. PMID: 35799938; PMCID: PMC9215704. 2. Wang Z, Tang Y, Li B. Bicontinuous and cellular structure design of PVDF membranes by using binary solvents for the membrane distillation process. RSC Adv. 2018 Jul 13;8(44):25159-25167. doi: 10.1039/c8ra02692k. PMID: 35542127; PMCID: PMC9082393.
In vivo protocol:	TBD

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1: Jeon SH, Kim YP, Kho Y, Shin JH, Ji WH, Ahn YG. Development and Validation of Gas Chromatography-Triple Quadrupole Mass Spectrometric Method for Quantitative Determination of Regulated Plasticizers in Medical Infusion Sets. J Anal Methods Chem. 2018 Feb 5;2018:9470254. doi: 10.1155/2018/9470254. eCollection 2018. PubMed PMID: 29629214; PubMed Central PMCID: PMC5832103.

2: Socas-Rodríguez B, González-Sálamo J, Herrera-Herrera AV, Santana-Mayor Á, Hernández-Borges J. Determination of phthalic acid esters in different baby food samples by gas chromatography tandem mass spectrometry. Anal Bioanal Chem. 2018 Mar 9. doi: 10.1007/s00216-018-0977-y. [Epub ahead of print] PubMed PMID: 29523939.

3: González-Sálamo J, Socas-Rodríguez B, Hernández-Borges J, Rodríguez-Delgado MÁ. Determination of phthalic acid esters in water samples using core-shell poly(dopamine) magnetic nanoparticles and gas chromatography tandem mass spectrometry. J Chromatogr A. 2017 Dec 29;1530:35-44. doi: 10.1016/j.chroma.2017.11.013. Epub 2017 Nov 8. PubMed PMID: 29146426.

4: Jo SH, Kim KH, Kim YH. A novel quantitation method for phthalates in air using a combined thermal desorption/gas chromatography/mass spectrometry application. Anal Chim Acta. 2016 Nov 9;944:29-36. doi: 10.1016/j.aca.2016.09.037. Epub 2016 Oct 5. PubMed PMID: 27776636.

5: Song XL, Chen Y, Yuan JP, Qin YJ, Zhao RS, Wang X. Carbon nanotube composite microspheres as a highly efficient solid-phase microextraction coating for sensitive determination of phthalate acid esters in water samples. J Chromatogr A. 2016 Oct 14;1468:17-22. doi: 10.1016/j.chroma.2016.09.030. Epub 2016 Sep 14. PubMed PMID: 27658380.

6: Park YN, Choi MS, Rehman SU, Gye MC, Yoo HH. Simultaneous GC-MS determination of seven phthalates in total and migrated portions of paper cups. Environ Sci Pollut Res Int. 2016 May;23(10):10270-5. doi: 10.1007/s11356-016-6604-6. Epub 2016 Apr 7. PubMed PMID: 27053047.

7: Cao XL, Zhao W, Churchill R, Hilts C. Occurrence of Di-(2-ethylhexyl) adipate and phthalate plasticizers in samples of meat, fish, and cheese and their packaging films. J Food Prot. 2014 Apr;77(4):610-20. doi: 10.4315/0362-028X.JFP-13-380. PubMed PMID: 24680073.

8: Saravanabhavan G, Guay M, Langlois É, Giroux S, Murray J, Haines D. Biomonitoring of phthalate metabolites in the Canadian population through the Canadian Health Measures Survey (2007-2009). Int J Hyg Environ Health. 2013 Nov;216(6):652-61. doi: 10.1016/j.ijheh.2012.12.009. Epub 2013 Feb 16. PubMed PMID: 23419587.

9: Hirata-Koizumi M, Takahashi M, Matsumoto M, Kawamura T, Ono A, Hirose A. [Toxicity effects of phthalate substitute plasticizers used in toys]. Kokuritsu Iyakuhin Shokuhin Eisei Kenkyusho Hokoku. 2012;(130):31-42. Review. Japanese. PubMed PMID: 23243985.

10: Kawakami T, Isama K, Matsuoka A. Analysis of phthalic acid diesters, monoester, and other plasticizers in polyvinyl chloride household products in Japan. J Environ Sci Health A Tox Hazard Subst Environ Eng. 2011;46(8):855-64. doi: 10.1080/10934529.2011.579870. PubMed PMID: 21714626.

11: Guo Z, Wang S, Wei D, Wang M, Zhang H, Gai P, Duan J. Development and application of a method for analysis of phthalates in ham sausages by solid-phase extraction and gas chromatography-mass spectrometry. Meat Sci. 2010 Mar;84(3):484-90. doi: 10.1016/j.meatsci.2009.10.002. Epub 2009 Oct 8. PubMed PMID: 20374814.

12: Guo ZY, Gai PP, Duan J, Zhai JX, Zhao SS, Wang S, Wei DY. Simultaneous determination of phthalates and adipates in human serum using gas chromatography-mass spectrometry with solid-phase extraction. Biomed Chromatogr. 2010 Oct;24(10):1094-9. doi: 10.1002/bmc.1410. PubMed PMID: 20352652.

13: Krüger T, Long M, Bonefeld-Jørgensen EC. Plastic components affect the activation of the aryl hydrocarbon and the androgen receptor. Toxicology. 2008 Apr 18;246(2-3):112-23. doi: 10.1016/j.tox.2007.12.028. Epub 2008 Jan 10. PubMed PMID: 18294747.

14: Cao XL. Determination of phthalates and adipate in bottled water by headspace solid-phase microextraction and gas chromatography/mass spectrometry. J Chromatogr A. 2008 Jan 18;1178(1-2):231-8. Epub 2007 Dec 3. PubMed PMID: 18082753.

15: Ueno M, Adachi A, Horikawa T, Inoue N, Mori A, Sasaki K. Allergic contact dermatitis caused by poly(adipic acid-co-1,2-propylene glycol) and di-(n-octyl) tin-bis(2-ethylhexylmaleate) in vinyl chloride gloves. Contact Dermatitis. 2007 Nov;57(5):349-51. PubMed PMID: 17937757.

16: Serôdio P, Nogueira JM. Considerations on ultra-trace analysis of phthalates in drinking water. Water Res. 2006 Jul;40(13):2572-82. Epub 2006 Jun 23. PubMed PMID: 16797669.

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