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首页 分子通 聚醚醇

聚醚醇 | 3055-99-0

物质功能分类

有机原料 - 醚类化合物及其衍生物 - 醚、醚醇

分子结构分类

有机化合物 - 有机氧化合物
中文名称
聚醚醇
中文别名
单十二烷基九乙二醇醚；聚多卡醇
英文名称
polidocanol
英文别名
laureth-9；nonaethylene glycol monododecyl ether；2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
聚醚醇化学式
CAS
3055-99-0
化学式
C30H62O10
mdl
——
分子量
582.816
InChiKey
ONJQDTZCDSESIW-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点：
    33-36 °C
  • 沸点：
    615.9±50.0 °C(Predicted)
  • 密度：
    1.007±0.06 g/cm3 (20 ºC 760 Torr)
  • 闪点：
    244℃ (Cleveland open test)
  • 溶解度：
    可溶于氯仿（少许）、甲醇（少许）
  • LogP：
    3.029 (est)
  • 稳定性/保质期：
    遵照规定使用和储存，则不会分解。

计算性质

  • 辛醇/水分配系数(LogP)：
    3.9
  • 重原子数：
    40
  • 可旋转键数：
    37
  • 环数：
    0.0
  • sp3杂化的碳原子比例：
    1.0
  • 拓扑面积：
    103
  • 氢给体数：
    1
  • 氢受体数：
    10

ADMET

代谢
代谢未进行测量。
Metabolism was not measured.
来源:DrugBank
毒理性
  • 在妊娠和哺乳期间的影响
◉ 母乳喂养期间使用总结：目前没有关于在母乳喂养期间使用聚多卡醇的临床信息。尽管聚多卡醇不太可能对哺乳婴儿产生不利影响，但国际指南建议在进行硬化治疗后暂停哺乳2天。 ◉ 对哺乳婴儿的影响：截至修订日期，没有找到相关的已发布信息。 ◉ 对泌乳和母乳的影响：截至修订日期，没有找到相关的已发布信息。
◉ Summary of Use during Lactation:No information is available on the clinical use of polidocanol during breastfeeding. Although polidocanol is unlikely to adversely affect the breastfed infant, international guidelines recommend that breastfeeding be withheld for 2 days after sclerotherapy. ◉ Effects in Breastfed Infants:Relevant published information was not found as of the revision date. ◉ Effects on Lactation and Breastmilk:Relevant published information was not found as of the revision date.
来源:Drugs and Lactation Database (LactMed)
毒理性
  • 蛋白质结合
血浆蛋白结合未进行测量。
Plasma protein binding was not measured.
来源:DrugBank
吸收、分配和排泄
  • 吸收
静脉给药时，最大血药浓度在15分钟内达到。
When given intravenously, the maximum blood concentrations were reached in 15 mins.
来源:DrugBank
吸收、分配和排泄
  • 消除途径
消除途径未标明。
Route of elimination was not indicated.
来源:DrugBank
吸收、分配和排泄
  • 分布容积
静脉给药时，分布容积为35-82升。
When given intravenously, the volume of distribution was 35-82L.
来源:DrugBank
吸收、分配和排泄
  • 清除
系统清除率为0.2-0.4升/分钟。
Sytemic clearance was 0.2-0.4 L/min.
来源:DrugBank

安全信息

  • 安全说明：
    S23,S24/25
  • WGK Germany：
    3
  • 海关编码：
    2909499000
  • 危险性防范说明：
    P261,P305+P351+P338
  • 危险性描述：
    H315,H319,H335
  • 储存条件：
    存储于2-8℃阴凉干燥处

SDS

SDS：246565c4100c3446b29a5f5bb9580ebf
查看
Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Nonaethylene glycol monododecyl ether
CAS-No. : 3055-99-0
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances


Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards - none
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms : Polidocanol
C12E9
Dodecyl nonaethylene glycol ether
Dodecylnonaglycol
Polyoxyethylene (9) lauryl ether
Formula : C30H62O10
Molecular Weight : 582,81 g/mol
Section 4. FIRST AID MEASURES
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available
Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available
Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Avoid breathing vapors, mist or gas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.
Section 7. HANDLING AND STORAGE
Precautions for safe handling
no data available
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Specific end uses
no data available
Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection not required. For nuisance exposures use type OV/AG (US) or type ABEK
(EU EN 14387) respirator cartridges. Use respirators and components tested and approved under
appropriate government standards such as NIOSH (US) or CEN (EU).
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: clear, liquid
Colour: colourless
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 33 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density 1,004 g/cm3
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available
Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available
Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available
Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.
Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

SECTION 15 - REGULATORY INFORMATION
N/A

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

应用

聚醚醇主要用于制备聚氨酯塑料，例如聚氨酯泡沫材料、铸塑革和弹性体。这些产品广泛应用于生产垫子、衬层、室内装饰家具用品以及汽车工业中的部件。

用途

硅烷改性聚醚醇主要应用于建筑结构胶中，能够有效改善其耐高温性和抗紫外性能等。为解决现有技术中钻井液抑制防塌预处理现场工艺的不足，开发了一种碳酸钾和聚醚醇钻井液的现场处理工艺，旨在提高钻井液的润滑防卡、抑制防塌效果，并有利于环境保护，降低劳动强度，实现节能环保。

生物活性

Nonaethylene glycol monododecyl ether（非烷氧基十二烷基单乙二醇）是一种非离子表面活性剂和聚乙二醇清洁剂。它可用于形成初始水包油乳滴以及蛋白质的分离与纯化。

体外研究

一系列非离子PEG去污剂与不同生物体来源的数个长链E-PDSs进行孵育，结果表明Nonaethylene glycol monododecyl ether通常给出的链长与体内合成的呼吸醌中异戊二烯基团的长度相对应。

上下游信息

反应信息

  • 作为反应物：
    描述：
    聚醚醇 在 阻聚剂701 、 potassium chloride 、 水 、 cobalt(II) chloride 作用下， 反应 16.0h， 生成 2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
    参考文献：
    名称：
    一种脂肪醇醚羧酸的制备方法
    摘要：
    本发明所述的脂肪醇醚羧酸的制备方法，其步骤包括在含有脂肪醇醚的溶剂中，以氧气或空气作为氧化剂，加入催化剂，反应得脂肪醇醚羧酸；其中，所述催化剂包括氮氧自由基、以及钴盐，所述脂肪醇醚、氮氧自由基、以及钴盐的摩尔比为100:1～20:1～20。本发明所使用的催化剂为氮氧自由基、钴盐、以及氯化钾，这些化合物均无腐蚀性，为工业上容易制备且价格较低的物质，成本低，对反应设备要求低。催化选择性高、产品转化率高。本发明所述的合成脂肪醇醚羧酸的方法具有反应条件温和、无副产物、绿色、环保、操作简单、分离纯化容易、无毒性物质残留、产品纯度高，可用于个人护理用品、食品等高端应用领域。
    公开号：
    CN114075106A
  • 作为产物：
    描述：
    三乙二醇 在 氯化亚砜 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 8.5h， 生成 聚醚醇
    参考文献：
    名称：
    单分散九聚乙二醇十二烷基醇单醚及其硫酸盐的制备方法和应用
    摘要：
    本发明公开了一种单分散九聚乙二醇十二烷基醇单醚及其硫酸盐的制备方法和应用，属于医药化工领域。从十二烷基醇出发，首先在碱的作用下通过与九聚乙二醇环硫酸酯的一次开环反应或通过与共含有九个乙二醇单元的多个寡聚乙二醇环硫酸酯的多次开环反应得到九聚乙二醇十二烷基醇单醚的硫酸盐；然后在硫酸的作用下水解得到九聚乙二醇十二烷基醇单醚。该方法可用于单分散聚乙二醇的长链烷基单醚及其硫酸盐的制备中。本发明以单一分子量聚乙二醇环硫酸酯为原料实现了六聚以上乙二醇的烷基醇单醚的高效合成，合成中没有用保护基，步骤简便，适于工业化生产，得到的产品相对于现有制备的聚桂醇具有明显的优势。
    公开号：
    CN106316802A
  • 作为试剂：
    描述：
    S-(2-(pivaloylamino)phenyl) (E)-3-(4-(tert-butyldimethylsilyloxy)phenyl)prop-2-enethioate 在 聚醚醇 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 sodium;4-[(E)-3-[2-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-3-oxoprop-1-enyl]phenolate
    参考文献：
    名称：
    Color regulation and stabilization of chromophore by Cys69 in photoactive yellow protein active center
    摘要：
    合成并表征了PYP色素的模型化合物，以研究Cys69残基在活性中心中的作用，该残基与共轭羰基氧和色素硫酯键形成分子内NH⋯OC氢键。模型化合物的UV-vis和13C NMR光谱结果表明，它们使色素的负电荷发生离域，并增强了酚酸阴离子状态中类醌共振结构的贡献。因此，Cys69残基在活性中心中对色彩的调节和色素阴离子的稳定性起着重要作用。
    DOI：
    10.1039/b905835d
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文献信息

  • PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS
    申请人：Philippe Michel
    公开号：US20100028280A1
    公开（公告）日：2010-02-04
    The invention relates to a process for straightening keratin fibres, comprising: (i) a step in which a straightening composition containing at least two denaturing agents is applied to the keratin fibres, (ii) a step in which the temperature of the keratin fibres is raised, using a heating means, to a temperature of between 110 and 250° C.
    该发明涉及一种直发角蛋白纤维的拉直过程，包括：(i)将至少两种变性剂含有的拉直组合物涂抹到角蛋白纤维上的步骤，(ii)使用加热装置将角蛋白纤维的温度升高至110至250°C的步骤。
  • [EN] QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME<br/>[FR] COMPOSÉS DE QUINOLIN-4-ONE ET DE 4(1H)-CINNOLINONE ET PROCÉDÉS D'UTILISATION ASSOCIÉS
    申请人：FREQUENCY THERAPEUTICS INC
    公开号：WO2020163816A1
    公开（公告）日：2020-08-13
    The present disclosure relates to quinolin-4-one and 4(1H)-cinnolinone compounds and methods of using them to induce self-renewal of stem/progenitor supporting cells, including inducing the stem/progenitor cells to proliferate while maintaining, in the daughter cells, the capacity to differentiate into tissue cells.
    本公开涉及喹啉-4-酮和4(1H)-喹啉酮化合物，以及使用它们诱导干/祖细胞支持细胞自我更新的方法，包括诱导干/祖细胞增殖，同时在子细胞中保持分化为组织细胞的能力。
  • [EN] PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS<br/>[FR] PYRAZOLO[4,3-D]PYRIMIDINES UTILES EN TANT QU'INHIBITEURS DE KINASES
    申请人：ORIGENIS GMBH
    公开号：WO2012143144A1
    公开（公告）日：2012-10-26
    The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.
    本发明涉及一种能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复的激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体的化合物的新颖化合物（I）的公式。这些化合物在治疗各种疾病中发挥作用。这些疾病包括自身免疫疾病、炎症性疾病、骨疾病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼部疾病、传染病和与激素相关的疾病。
  • [EN] HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DE KINASES
    申请人：ORIGENIS GMBH
    公开号：WO2012143143A1
    公开（公告）日：2012-10-26
    The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.
    本发明涉及一种能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体的化合物的新颖化合物（I）的公式。这些化合物在治疗各种疾病中发挥作用。这些疾病包括自身免疫疾病、炎症性疾病、骨疾病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼部疾病、传染病和与激素相关的疾病。
  • Nitric Oxide Releasing Prodrugs of Therapeutic Agents
    申请人：SATYAM Apparao
    公开号：US20110263526A1
    公开（公告）日：2011-10-27
    The present invention relates to nitric oxide releasing prodrugs of known drugs or therapeutic agents which are represented herein as compounds of formula (I) wherein the drugs or therapeutic agents contain one or more functional groups independently selected from a carboxylic acid, an amino, a hydroxyl and a sulfhydryl group. The invention also relates to processes for the preparation of the nitric oxide releasing prodrugs (the compounds of formula (I)), to pharmaceutical compositions containing them and to methods of using the prodrugs.
    本发明涉及已知药物或治疗剂的一氧化氮释放前药，其在此处表示为式(I)的化合物，其中药物或治疗剂包含一个或多个功能基团，独立地选自羧酸、氨基、羟基和巯基。该发明还涉及制备一氧化氮释放前药（式(I)的化合物）的方法，含有它们的药物组合物以及使用这些前药的方法。
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