1-Dodecanol

别名: 1Dodecanol; 1 Dodecanol 月桂醇;正十二烷醇;十二醇;1-十二烷醇; 1-十二醇;十二碳醇;正十二醇;1-Dodecanol 1-十二醇;1-十二烷醇 标准品; 十二(月桂醇);十二醇 CP;十二醇,AR;十二醇,GCS;十二醇,GR;十二烷醇;月桂醇 USP标准品;十二醇,1-Dodecanol,AR;十二醇,1-Dodecanol,GR;正十二碳醇
目录号: V38548 纯度: ≥98%
1-十二烷醇是一种内源性产生的代谢物。
1-Dodecanol CAS号: 112-53-8
产品类别: New2
产品仅用于科学研究,不针对患者销售
规格 价格 库存 数量
500mg
1g
Other Sizes

Other Forms of 1-Dodecanol:

  • 1-Dodecanol-13C
  • 1-Dodecanol-d25
  • 1-Dodecanol-d26
  • 1-Dodecanol-d1
点击了解更多
InvivoChem产品被CNS等顶刊论文引用
产品描述
1-十二烷醇是一种内源性产生的代谢物。
生物活性&实验参考方法
药代性质 (ADME/PK)
Absorption, Distribution and Excretion
After 24-hr covered contact with the skin of mice, about 95% of a 100-uL dose of 0.5% 1-dodecanol in triethyl citrate remained on the skin. A small proportion, 0.1%, was recovered in the feces and urine, 0.13% was recovered from the body, and 2.61% was excreted in the air. These data indicate a low amount of dermal uptake.
Metabolism / Metabolites
Frog liver microsomes catalyzed the hydroxylation of 1-dodecanol into the corresponding omega- and (omega-1)-hydroxy derivatives. The hydroxylation rate for 1-dodecanol was much lower than that for lauric acid. Both NADPH and O2 were required for hydroxylation activity. NADH had no effect on the hydroxylation. The hydroxylating system was inhibited 49% by CO at a CO:O2 ratio of 4.0. The formation of omega-hydroxydodecanol was more sharply inhibited by CO than was the formation of (omega-1)-hydroxydodecanol, implying that more than one cytochrome P-450 was involved in the hydroxylation of 1-dodecanol and that CO has a higher affinity for the P-450 catalyzing the omega-hydroxylation. The formation of laurate during the incubation of 1-dodecanol with frog liver microsomes suggests that a fatty alcohol oxidation system is also present in the microsomes. NAD+ was the most effective cofactor for the oxidation of 1-dodecanol and NADP+ had a little effect. Pyrazole (an inhibitor of alcohol dehydrogenase) had a slight inhibitory effect on the oxidation and sodium azide (an inhibitor of catalase) had no effect.
The liver microsomes of the Mongolian gerbil Meriones unguiculatus catalyzed the hydroxylation of various saturated fatty acids (C8-C18), alcohols (C12 and C16) and hydrocarbon (C12) to the corresponding omega- and (omega-1)-hydroxy derivatives. Lauric acid was hydroxylated most effectively among saturated fatty acids and the order of activity as hydroxylation substrates was C12 greater than C14 greater than C13 greater than C16 greater than C10 greater than C18 greater than C8. The specific activity of laurate hydroxylation (5.99 nmol/mg microsomal protein/min) in gerbil liver microsomes was higher than that observed in other species. 1-Dodecanol was also hydroxylated very effectively (4.58 nmol/mg microsomal protein/min) by gerbil liver microsomes, but in general the hydroxylation rates for fatty alcohols were much lower than those for the corresponding acids.
毒性/毒理 (Toxicokinetics/TK)
Toxicity Summary
IDENTIFICATION AND USE: 1-Dodecanol is used principally as chemical intermediate for salts of n-dodecyl sulfate and foam stabilizer for alcohol sulfate surfactants. It is also used in synthetic detergents, lube additives, pharmaceuticals, rubber, textiles, perfumes, and as a flavoring agent. The substance is practically non-toxic, and is a permitted food additive (GRAS) in both the U.S. and the EU. It is registered for pesticide use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses. HUMAN EXPOSURE AND TOXICITY: Contact for 48 hours with 4% 1-dodecanol in petrolatum was not irritating to 25 human volunteers, but marked skin irritation was noted when 25% 1-dodecanol in mineral oil was given in open contact with scarified skin of 5 to 10 volunteers once a day for 3 days. There was no skin sensitization in 25 human volunteers at a concentration of 4% in petrolatum. ANIMAL STUDIES: Aspiration of 0.2 mL of 1-dodecanol produced death among 9 out of 10 rats. The deaths were caused by pulmonary edema rather than cardiac arrest or respiratory failure as with the C3 to C10 alcohols. The lungs were dark red; seven rats died within 7 to 30 min, and two rats died 5 hr or longer after dosing. 1-Dodecanol did not cause developmental or reproductive toxicities when tested in rats at concentrations of 0, 100, 500, 2000 mg/kg /day for 14 days prior to mating. 1-Dodecanol, in the doses administered, had no effect on fetal weight, weight gain, food consumption, and food efficiency in the parental generation. When tested for carcinogenicity, 1-dodecanol showed weak tumor-promoting activity when applied three times a week for 60 weeks to the skin of mice that had previously received an initiating dose of dimethylbenz[a]anthracene. In another study, in 6-8 week old mice, ip injections of dodecanol in 0.1 mL tricaprylin (12.0 g/kg to 30 animals in high dose group, and 2.4 g/kg to 28 animals in low dose group) was administered 3 times weekly for eight weeks. Papillomas developed in 2 of 30 mice after 39 and 49 weeks of treatment. Lung tumors were observed in 2/15 female mice in the high dose group, and in 2/15 males and 3/13 females in the low dose group. 1-Dodecanol was not mutagenic to Salmonella typhimurium in the Ames assay with and without metabolic activation, or to Escherichia coli without metabolic activation. However, it diminished cell mitotic activity and caused structural changes to chromosomes and the mitotic apparatus in Vicia faba after 14 hours exposure. ECOTOXICITY: Although Dodecanol exhibits non-polar CNS depressant toxicity to aquatic organisms of about 1 mg/L, the substance is readily degradable and releases during production, or through diffuse uses of the free alcohol do not give rise to environmental concerns.
Toxicity Data
LC50 (rat) > 1,050 mg/m3/6h
Interactions
Nutritional encephalomalacia induced by lauryl alcohol could be completely prevented by dietary supplementation of dl-alpha-tocopheryl acetate.
IN PRESENCE OF DODECANOL, DEPRESSION OF AMPLITUDE OF COMPD ACTION POTENTIAL BY BUTANOL (30 MMOL) WAS INCR.
Non-Human Toxicity Values
LD50 Rat oral 12,800 mg/kg
LC50 Rat inhalation >1050 mg/cu m (138 ppm)
LD50 Guinea pig dermal >8310 mg/kg
其他信息
Dodecanol is a colorless thick liquid with a sweet odor. Floats on water. Freezing point is 75 °F. (USCG, 1999)
Dodecan-1-ol is a primary alcohol that is dodecane in which a hydrogen from one of the methyl groups is replaced by a hydroxy group. It is registered for use in apple and pear orchards as a Lepidopteran pheromone/sex attractant, used to disrupt the mating behaviour of certain moths whose larvae destroy crops. It has a role as a cosmetic, a pheromone, an insect attractant, a plant metabolite, an insecticide and a bacterial metabolite. It is a primary alcohol and a dodecanol.
1-Dodecanol is a saturated 12-carbon fatty alcohol obtained from coconut oil fatty acids. It has a floral odor and is used in detergents, lubricating oils, and pharmaceuticals. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed)
1-Dodecanol has been reported in Francisella tularensis, Camellia sinensis, and other organisms with data available.
A saturated 12-carbon fatty alcohol obtained from coconut oil fatty acids. It has a floral odor and is used in detergents, lubricating oils, and pharmaceuticals. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed)
See also: Alcohols, C8-18 (annotation moved to).
*注: 文献方法仅供参考, InvivoChem并未独立验证这些方法的准确性
化学信息 & 存储运输条件
分子式
C₁₂H₂₆O
分子量
186.33
精确质量
186.198
CAS号
112-53-8
相关CAS号
1-Dodecanol-13C;88170-32-5;1-Dodecanol-d25;160776-83-0;1-Dodecanol-d26;38086-03-2;1-Dodecanol-d1;14848-65-8
PubChem CID
8193
外观&性状
Colorless to off-white <22°C powder,>26°C liquid
密度
0.8±0.1 g/cm3
沸点
258.0±3.0 °C at 760 mmHg
熔点
22-26 °C(lit.)
闪点
115.4±4.6 °C
蒸汽压
0.0±1.2 mmHg at 25°C
折射率
1.441
LogP
5.13
tPSA
20.23
氢键供体(HBD)数目
1
氢键受体(HBA)数目
1
可旋转键数目(RBC)
10
重原子数目
13
分子复杂度/Complexity
81.2
定义原子立体中心数目
0
SMILES
O([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
InChi Key
LQZZUXJYWNFBMV-UHFFFAOYSA-N
InChi Code
InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
化学名
dodecan-1-ol
别名
1Dodecanol; 1 Dodecanol
HS Tariff Code
2934.99.9001
存储方式

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

运输条件
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
溶解度数据
溶解度 (体外实验)
DMSO : ~100 mg/mL (~536.68 mM)
溶解度 (体内实验)
配方 1 中的溶解度: ≥ 2.5 mg/mL (13.42 mM) (饱和度未知) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (这些助溶剂从左到右依次添加,逐一添加), 澄清溶液。
例如,若需制备1 mL的工作液,可将100 μL 25.0 mg/mL澄清DMSO储备液加入到400 μL PEG300中,混匀;然后向上述溶液中加入50 μL Tween-80,混匀;加入450 μL生理盐水定容至1 mL。
*生理盐水的制备:将 0.9 g 氯化钠溶解在 100 mL ddH₂O中,得到澄清溶液。

配方 2 中的溶解度: ≥ 2.5 mg/mL (13.42 mM) (饱和度未知) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (这些助溶剂从左到右依次添加,逐一添加), 澄清溶液。
例如,若需制备1 mL的工作液,可将 100 μL 25.0 mg/mL澄清DMSO储备液加入900 μL 20% SBE-β-CD生理盐水溶液中,混匀。
*20% SBE-β-CD 生理盐水溶液的制备(4°C,1 周):将 2 g SBE-β-CD 溶解于 10 mL 生理盐水中,得到澄清溶液。

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配方 3 中的溶解度: ≥ 2.5 mg/mL (13.42 mM) (饱和度未知) in 10% DMSO + 90% Corn Oil (这些助溶剂从左到右依次添加,逐一添加), 澄清溶液。
例如,若需制备1 mL的工作液,可将 100 μL 25.0 mg/mL 澄清 DMSO 储备液加入到 900 μL 玉米油中并混合均匀。


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。
制备储备液 1 mg 5 mg 10 mg
1 mM 5.3668 mL 26.8341 mL 53.6682 mL
5 mM 1.0734 mL 5.3668 mL 10.7336 mL
10 mM 0.5367 mL 2.6834 mL 5.3668 mL

1、根据实验需要选择合适的溶剂配制储备液 (母液):对于大多数产品,InvivoChem推荐用DMSO配置母液 (比如:5、10、20mM或者10、20、50 mg/mL浓度),个别水溶性高的产品可直接溶于水。产品在DMSO 、水或其他溶剂中的具体溶解度详见上”溶解度 (体外)”部分;

2、如果您找不到您想要的溶解度信息,或者很难将产品溶解在溶液中,请联系我们;

3、建议使用下列计算器进行相关计算(摩尔浓度计算器、稀释计算器、分子量计算器、重组计算器等);

4、母液配好之后,将其分装到常规用量,并储存在-20°C或-80°C,尽量减少反复冻融循环。

计算器

摩尔浓度计算器可计算特定溶液所需的质量、体积/浓度,具体如下:

  • 计算制备已知体积和浓度的溶液所需的化合物的质量
  • 计算将已知质量的化合物溶解到所需浓度所需的溶液体积
  • 计算特定体积中已知质量的化合物产生的溶液的浓度
使用摩尔浓度计算器计算摩尔浓度的示例如下所示:
假如化合物的分子量为350.26 g/mol,在5mL DMSO中制备10mM储备液所需的化合物的质量是多少?
  • 在分子量(MW)框中输入350.26
  • 在“浓度”框中输入10,然后选择正确的单位(mM)
  • 在“体积”框中输入5,然后选择正确的单位(mL)
  • 单击“计算”按钮
  • 答案17.513 mg出现在“质量”框中。以类似的方式,您可以计算体积和浓度。

稀释计算器可计算如何稀释已知浓度的储备液。例如,可以输入C1、C2和V2来计算V1,具体如下:

制备25毫升25μM溶液需要多少体积的10 mM储备溶液?
使用方程式C1V1=C2V2,其中C1=10mM,C2=25μM,V2=25 ml,V1未知:
  • 在C1框中输入10,然后选择正确的单位(mM)
  • 在C2框中输入25,然后选择正确的单位(μM)
  • 在V2框中输入25,然后选择正确的单位(mL)
  • 单击“计算”按钮
  • 答案62.5μL(0.1 ml)出现在V1框中
g/mol

分子量计算器可计算化合物的分子量 (摩尔质量)和元素组成,具体如下:

注:化学分子式大小写敏感:C12H18N3O4  c12h18n3o4
计算化合物摩尔质量(分子量)的说明:
  • 要计算化合物的分子量 (摩尔质量),请输入化学/分子式,然后单击“计算”按钮。
分子质量、分子量、摩尔质量和摩尔量的定义:
  • 分子质量(或分子量)是一种物质的一个分子的质量,用统一的原子质量单位(u)表示。(1u等于碳-12中一个原子质量的1/12)
  • 摩尔质量(摩尔重量)是一摩尔物质的质量,以g/mol表示。
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配液计算器可计算将特定质量的产品配成特定浓度所需的溶剂体积 (配液体积)

  • 输入试剂的质量、所需的配液浓度以及正确的单位
  • 单击“计算”按钮
  • 答案显示在体积框中
动物体内实验配方计算器(澄清溶液)
第一步:请输入基本实验信息(考虑到实验过程中的损耗,建议多配一只动物的药量)
第二步:请输入动物体内配方组成(配方适用于不溶/难溶于水的化合物),不同的产品和批次配方组成不同,如对配方有疑问,可先联系我们提供正确的体内实验配方。此外,请注意这只是一个配方计算器,而不是特定产品的确切配方。
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计算结果:

工作液浓度 mg/mL;

DMSO母液配制方法 mg 药物溶于 μL DMSO溶液(母液浓度 mg/mL)。如该浓度超过该批次药物DMSO溶解度,请首先与我们联系。

体内配方配制方法μL DMSO母液,加入 μL PEG300,混匀澄清后加入μL Tween 80,混匀澄清后加入 μL ddH2O,混匀澄清。

(1) 请确保溶液澄清之后,再加入下一种溶剂 (助溶剂) 。可利用涡旋、超声或水浴加热等方法助溶;
            (2) 一定要按顺序加入溶剂 (助溶剂) 。

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