2,4-D isooctyl ester   中文名称: 2,4-D异辛酯

Absorption, Distribution and Excretion
...In mice injected with 2,4-D isooctyl ester disappears faster than 2,4-D acid. Leaves most readily absorb the nonpolar (ester) form of 2,4-D. ...2,4-D esters are not easily eluted from the plant and are rapidly converted to acid by the plant. ...After absorption by leaves, 2,4-D is transported within the phloem and may move with nutrients. After absorption by roots, it may be transported upwards with transpiration. The plant's growth status affects its transport. Herbicides accumulate primarily in the meristematic regions of stems and roots. /2,4-D or its esters/ Under atmospheric 2,4-D ester concentrations of 0.1 to 0.2 mg/L, the 2,4-D concentration in the plasma of workers exposed to this ester did not exceed 0.2 mg/L; no accumulation was observed during the work week. ...One day after exposure, workers had urinary 2,4-D concentrations ranging from 3 to 14 mg/L. /2,4-Dichlorophenoxyacetic acid or its esters/
After subcutaneous injection of 2,4-D and its butyl and isooctyl esters at a dose of 100 mg/kg, the esters were rapidly cleared, with only 5-10% of 2,4-D remaining after 1 day. ...In the milk of dairy cows raised on pastures treated with 2,4-D or its butyl or isooctyl esters, 2,4-D is excreted.
For more complete data on the absorption, distribution, and excretion of 2,4-D isooctyl esters (7 in total), please visit the HSDB record page.

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Metabolism/Metabolites
Plants hydrolyze 2,4-D esters to 2,4-D, which is an active herbicide. ...Further metabolism...occurs through three mechanisms: side-chain degradation, aromatic ring hydroxylation, and binding to plant components. /2,4-D Esters/
The herbicidal activity of esters, nitriles, amines (and of course, salts) is similar to, or even the same as, that of the parent acid. This is clearly due to the presence of hydrolytic enzymes in plants and soil microorganisms that can convert these derivatives into the parent acid. /SRP: 2,4-D or its esters/
2,4-D esters are hydrolyzed in animals. Phenoxy acid compounds are mainly excreted unchanged in rat urine after oral administration, with small amounts conjugated with the amino acids glycine and taurine, as well as glucuronic acid. /2,4-D and its esters/
Apart from the conjugates, no other metabolites of 2,4-D have been detected in human urine.

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Biological Half-Life
These herbicides do not accumulate in animals. They are not widely metabolized but are actively excreted into urine…their plasma half-life in humans is approximately 1 day. /Chlorophenoxy compounds/
The hydrolysis half-life of 2,4-D n-butyl ester in neutral water was determined to be 100 hours, while it was much shorter in water-soluble soil suspensions. Smith (1976) reported that 2,4-D n-butyl ester was almost completely hydrolyzed to 2,4-D in moist soil in less than 24 hours. Similar results were obtained for the hydrolysis of 2,4,5-T n-butyl ester and isooctyl ester to 2,4,5-T. 2,4-D ester was completely hydrolyzed to 2,4-D in lake water within 9 days. Therefore, the rate of biological hydrolysis appears to be higher than that of chemical hydrolysis.

Interactions
We treated Salmo clarki with six different mixtures of herbicides, including dicamba, cyprodinil, 2,4-D butyl ester, 2,4-D isooctyl ester, and 2,4-D propylene glycol butyl ether ester. Except for 2,4-D isooctyl ester, the LC50 values of the mixtures of 2,4-D esters and cyprodinil were all lower than the LC50 values of the individual herbicides when used alone. Dicamba and 2,4-D isooctyl ester showed the lowest toxicity when used alone, and the combination of dicamba or 2,4-D isooctyl ester with other herbicides did not increase toxicity. These results reflect the importance of a combined exposure approach when determining the biological significance of the co-occurrence of multiple herbicides in surface water. Non-human Toxicity Values Rabbit dermal absorption LD50 > 4000 mg/kg
Rats oral LD50 982 mg/kg

[1]. Preparation and characterization of controlled-release poly(melamine-formaldehyde) microcapsules filled with 2,4-D isooctyl ester, International Journal of Polymeric Materials and Polymeric Biomaterials, 66:18, 963-969.

Herbicide lv-69 67% 2,4-d isooctyl ester is available in commercially available products as white crystals or as a brown or dark brown liquid. (NTP, 1992) Mechanism of Action: .../Chlorophenoxy compounds (including 2,4-d esters)/ exert their herbicidal action by acting as plant growth hormones. /Chlorophenoxy compounds/

C16H22CL2O3

333.25

332.095

25168-26-7

24678

Colorless to light yellow liquid

1.15 g/cm3

396.9ºC at 760 mmHg

12ºC

48ºC

1.65E-06mmHg at 25°C

1.506

5.131

35.53

0

3

10

21

297

0

CCCCC(COC(COC1=CC=C(Cl)C=C1Cl)=O)CC

BBPLSOGERZQYQC-UHFFFAOYSA-N

InChI=1S/C16H22Cl2O3/c1-12(2)6-4-3-5-9-20-16(19)11-21-15-8-7-13(17)10-14(15)18/h7-8,10,12H,3-6,9,11H2,1-2H3

6-methylheptyl 2-(2,4-dichlorophenoxy)acetate

2934.99.9001

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples

注意: 如下所列的是一些常用的体内动物实验溶解配方，主要用于溶解难溶或不溶于水的产品（水溶度<1 mg/mL）。 建议您先取少量样品进行尝试，如该配方可行，再根据实验需求增加样品量。

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注射用配方1: DMSO : Tween 80： Saline = 10 : 5 : 85 (如： 100 μL DMSO → 50 μL Tween 80 → 850 μL Saline)
*生理盐水/Saline的制备：将0.9g氯化钠/NaCl溶解在100 mL ddH ₂ O中，得到澄清溶液。
注射用配方 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (如： 100 μL DMSO → 400 μL PEG300 → 50 μL Tween 80 → 450 μL Saline)
注射用配方 3: DMSO : Corn oil = 10 : 90 (如： 100 μL DMSO → 900 μL Corn oil)
示例: 以注射用配方 3 (DMSO : Corn oil = 10 : 90) 为例说明, 如果要配制 1 mL 2.5 mg/mL的工作液, 您可以取 100 μL 25 mg/mL 澄清的 DMSO 储备液，加到 900 μL Corn oil/玉米油中, 混合均匀。

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注射用配方 4: DMSO : 20% SBE-β-CD in Saline = 10 : 90 [如：100 μL DMSO → 900 μL (20% SBE-β-CD in Saline)]
*20% SBE-β-CD in Saline的制备（4°C，储存1周）：将2g SBE-β-CD (磺丁基-β-环糊精) 溶解于10mL生理盐水中，得到澄清溶液。
注射用配方 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (如： 500 μL 2-Hydroxypropyl-β-cyclodextrin (羟丙基环胡精)→ 500 μL Saline)
注射用配方 6: DMSO : PEG300 : Castor oil : Saline = 5 : 10 : 20 : 65 (如： 50 μL DMSO → 100 μL PEG300 → 200 μL Castor oil → 650 μL Saline)
注射用配方 7: Ethanol : Cremophor : Saline = 10： 10 : 80 (如： 100 μL Ethanol → 100 μL Cremophor → 800 μL Saline)
注射用配方 8: 溶解于Cremophor/Ethanol (50 : 50), 然后用生理盐水稀释。
注射用配方 9: EtOH : Corn oil = 10 : 90 (如： 100 μL EtOH → 900 μL Corn oil)
注射用配方 10: EtOH : PEG300：Tween 80 : Saline = 10 : 40 : 5 : 45 (如： 100 μL EtOH → 400 μL PEG300 → 50 μL Tween 80 → 450 μL Saline)

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口服配方 1: 悬浮于0.5% CMC Na (羧甲基纤维素钠)
口服配方 2: 悬浮于0.5% Carboxymethyl cellulose (羧甲基纤维素)
示例: 以口服配方 1 (悬浮于 0.5% CMC Na)为例说明, 如果要配制 100 mL 2.5 mg/mL 的工作液, 您可以先取0.5g CMC Na并将其溶解于100mL ddH2O中，得到0.5%CMC-Na澄清溶液；然后将250 mg待测化合物加到100 mL前述 0.5%CMC Na溶液中，得到悬浮液。

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口服配方 3: 溶解于 PEG400 (聚乙二醇400)
口服配方 4: 悬浮于0.2% Carboxymethyl cellulose (羧甲基纤维素)
口服配方 5: 溶解于0.25% Tween 80 and 0.5% Carboxymethyl cellulose (羧甲基纤维素)
口服配方 6: 做成粉末与食物混合

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注意: 以上为较为常见方法，仅供参考， InvivoChem并未独立验证这些配方的准确性。具体溶剂的选择首先应参照文献已报道溶解方法、配方或剂型，对于某些尚未有文献报道溶解方法的化合物，需通过前期实验来确定（建议先取少量样品进行尝试），包括产品的溶解情况、梯度设置、动物的耐受性等。

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请根据您的实验动物和给药方式选择适当的溶解配方/方案：
1、请先配制澄清的储备液(如：用DMSO配置50 或 100 mg/mL母液(储备液));
2、取适量母液，按从左到右的顺序依次添加助溶剂，澄清后再加入下一助溶剂。以 下列配方为例说明 (注意此配方只用于说明，并不一定代表此产品 的实际溶解配方):
10% DMSO → 40% PEG300 → 5% Tween-80 → 45% ddH2O (或 saline);
假设最终工作液的体积为 1 mL, 浓度为5 mg/mL: 取 100 μL 50 mg/mL 的澄清 DMSO 储备液加到 400 μL PEG300 中，混合均匀/澄清；向上述体系中加入50 μL Tween-80，混合均匀/澄清；然后继续加入450 μL ddH2O (或 saline)定容至 1 mL；
3、溶剂前显示的百分比是指该溶剂在最终溶液/工作液中的体积所占比例;
4、 如产品在配制过程中出现沉淀/析出，可通过加热(≤50℃)或超声的方式助溶;
5、为保证最佳实验结果，工作液请现配现用！
6、如不确定怎么将母液配置成体内动物实验的工作液，请查看说明书或联系我们;
7、 以上所有助溶剂都可在 Invivochem.cn网站购买。