2-辛基十二醇 | 5333-42-6

• 物质功能分类: 分析化学 - 分析试剂 - 离子色谱试剂
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-辛基十二醇
• 中文别名: 2-正辛基-1-月桂醇；异二十醇；2-辛基-1-十二烷醇；格尔伯特醇；2-正辛基-1-十二烷醇
• 英文名称: 2-octyldodecan-1-ol
• 英文别名: 2-octyldodecanol；2-octyl-1-dodecanol；2-n-octyl-1-dodecanol
• CAS: 5333-42-6
• 化学式: C₂₀H₄₂O
• 分子量: 298.553
• InChiKey: LEACJMVNYZDSKR-UHFFFAOYSA-N

物化性质

• 熔点：
  −1-1 °C(lit.)
• 沸点：
  234-238 °C/33 mmHg(lit.)
• 密度：
  0.838 g/mL at 25 °C(lit.)
• 闪点：
  113 °C
• 溶解度：
  几乎不溶于水，与乙醇混溶（96%）。
• LogP：
  8.63 at 20℃
• 物理描述：
  Liquid
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，未有已知危险发生。

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  21
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 海关编码：
  2905199090
• 危险品运输编号：
  NONH for all modes of transport
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  请将药品存放在密闭、阴凉干燥的地方，并确保通风良好。

SDS

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Section 1. Chemical Product and Company Identification
2-Octyl-1-dodecanol
Common Name/
Trade Name
Manufacturer
Commercial Name(s)
Synonym
Chemical Name
Chemical Family
2-Octyl-1-dodecanol

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Section 4. First Aid Measures
Eye Contact Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at
least 15 minutes. Get medical attention.
Skin Contact In case of contact, immediately flush skin with plenty of water. Cover the irritated skin with an emollient. Remove
contaminated clothing and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get
medical attention.
Serious Skin Contact Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek medical
attention.
Inhalation If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get
medical attention.
Serious Inhalation Not available.
Ingestion Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
clothing such as a collar, tie, belt or waistband.
Serious Ingestion Not available.

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Section 5. Fire and Explosion Data
Flammability of the Product May be combustible at high temperature.
Auto-Ignition Temperature 265°C (509°F)
Flash Points CLOSED CUP: 113°C (235.4°F). OPEN CUP: 180°C (356°F).
Flammable Limits Not available.
Products of Combustion These products are carbon oxides (CO, CO2).
Fire Hazards in Presence of Slightly flammable to flammable in presence of open flames and sparks, of heat.
Various Substances
Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
of Various Substances Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media SMALL FIRE: Use DRY chemical powder.
and Instructions LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
Special Remarks on Not available.
Fire Hazards
Special Remarks on Explosion Not available.
Hazards

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Section 6. Accidental Release Measures
Small Spill Absorb with an inert material and put the spilled material in an appropriate waste disposal.
Large Spill Absorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning by
spreading water on the contaminated surface and allow to evacuate through the sanitary system.
2-Octyl-1-dodecanol

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Section 7. Handling and Storage
Precautions Keep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the
residue under a fume hood. Ground all equipment containing material. Do not breathe gas/fumes/ vapor/spray.
Avoid contact with skin. Wear suitable protective clothing. If you feel unwell, seek medical attention and show the
label when possible. Keep away from incompatibles such as oxidizing agents, acids.
Storage Keep container tightly closed. Keep container in a cool, well-ventilated area.

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Section 8. Exposure Controls/Personal Protection
Engineering Controls Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their
respective threshold limit value. Ensure that eyewash stations and safety showers are proximal to the
work-station location.
Personal Protection Safety glasses or Splash goggles. Synthetic apron or Lab coat. Gloves (impervious).
Respiratory protection is not normally required for normal handling of the vapor pressure of this material at room
room temperature. If handling material in areas where ventilation is inadequate or under conditions causing
excessive airborne levels of mist or vapor, a vapor respirator may be needed.
Personal Protection in Case of Splash goggles. Full suit. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
a Large Spill specialist BEFORE handling this product.
Exposure Limits Not available.

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Section 9. Physical and Chemical Properties
Physical state and appearance Liquid. (Oily liquid.) Odor Not available.
Not available.
Taste
Molecular Weight 298.56 g/mole
Colorless.
Color
pH (1% soln/water) Not applicable.
Boiling Point 290°C (554°F)
Melting Point 1°C (33.8°F)
Critical Temperature Not available.
Specific Gravity 0.836 (Water = 1)
1 kPa (@ 207°C)
Vapor Pressure
Vapor Density Not available.
Not available.
Volatility
Odor Threshold Not available.
Water/Oil Dist. Coeff. Not available.
Ionicity (in Water) Not available.
Dispersion Properties Not available.
Solubility Insoluble in cold water, hot water.

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Section 10. Stability and Reactivity Data
Stability The product is stable.
Instability Temperature Not available.
Conditions of Instability Excess heat, incompatible materials
Incompatibility with various Reactive with oxidizing agents, acids.
substances
2-Octyl-1-dodecanol
Corrosivity Not available.
Special Remarks on Incompatible with inorganic acids, halogens, oxidizers.
Reactivity
Special Remarks on Not available.
Corrosivity
Polymerization Will not occur.

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Section 11. Toxicological Information
Routes of Entry Skin contact. Eye contact.
Toxicity to Animals LD50: Not available.
LC50: Not available.
Chronic Effects on Humans Not available.
Other Toxic Effects on Hazardous in case of skin contact (irritant).
Humans Slightly hazardous in case of ingestion, of inhalation.
Special Remarks on Not available.
Toxicity to Animals
Special Remarks on Not available.
Chronic Effects on Humans
Special Remarks on other Acute Potential Health Effects:
Toxic Effects on Humans Skin: Causes moderate skin to severe skin irritation.
Eyes: Causes mild eye irritation.
Inhalation: Low hazard for normal handling. Inhalation of high concentrations of vapor or mist may cause
respiratory tract irritation.
Ingestion: Expected to be a low hazard.

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Section 12. Ecological Information
Ecotoxicity Not available.
Not available.
BOD5 and COD
Possibly hazardous short term degradation products are not likely. However, long term degradation products may
Products of Biodegradation
arise.
Toxicity of the Products The product itself and its products of degradation are not toxic.
of Biodegradation
Not available.
Special Remarks on the
Products of Biodegradation

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Section 13. Disposal Considerations
Waste Disposal Waste must be disposed of in accordance with federal, state and local environmental
control regulations.
2-Octyl-1-dodecanol

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Section 14. Transport Information
DOT Classification Not a DOT controlled material (United States).
Identification Not applicable.
Not applicable.
Special Provisions for
Transport
DOT (Pictograms)

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Section 15. Other Regulatory Information and Pictograms
TSCA 8(b) inventory: 2-Octyl-1-dodecanol
Federal and State
Regulations
California California prop. 65: This product contains the following ingredients for which the State of California has found
to cause cancer which would require a warning under the statute: No products were found.
Proposition 65
Warnings
California prop. 65: This product contains the following ingredients for which the State of California has found
to cause birth defects which would require a warning under the statute: No products were found.
Other Regulations EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances (EINECS No.
226-242-9).
Canada: Listed on Canadian Domestic Substance List (DSL).
China: Listed on National Inventory.
Japan: Listed on National Inventory (ENCS).
Korea: Listed on National Inventory (KECI).
Philippines: Listed on National Inventory (PICCS).
Australia: Listed on AICS.
WHMIS (Canada) CLASS D-2B: Material causing other toxic effects (TOXIC).
Other Classifications
DSCL (EEC)
R36/38- Irritating to eyes and skin. S26- In case of contact with eyes, rinse
immediately with plenty of water and seek
medical advice.
S36/37- Wear suitable protective clothing and
gloves.
Health Hazard
HMIS (U.S.A.) 2 National Fire Protection
1 Flammability
1 Association (U.S.A.)
Fire Hazard
2 0 Reactivity
Health
Reactivity
0
Specific hazard
Personal Protection
C
WHMIS (Canada)
(Pictograms)
DSCL (Europe)
(Pictograms)
2-Octyl-1-dodecanol
TDG (Canada)
(Pictograms)
ADR (Europe)
(Pictograms)
Protective Equipment
Gloves (impervious).
Synthetic apron.
Wear appropriate respirator when
ventilation is inadequate.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

2-辛基十二醇常作为医药、有机和材料领域的中间体使用。

反应信息

• 作为反应物：
  描述：

  2-辛基十二醇 在 溴 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到9-(溴甲基)十九烷
  参考文献：
  名称：

  Correlation of structure and photovoltaic performance of benzo[1,2-b:4,5-b′]dithiophene copolymers alternating with different acceptors

  摘要：

  PBDTT-TTz/PC61BM（1：2）器件，PFN作为阴极界面层，为聚合物太阳能电池提供了2.60%的光电转换效率。

  DOI：

  10.1039/c4nj02192d
• 作为产物：
  描述：

  methyl 2-octyldodecanoate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以86%的产率得到2-辛基十二醇
  参考文献：
  名称：

  一种分叉型卤代烷基链化合物的制备方法及其应用

  摘要：

  本发明公开了一种分叉型卤代烷基链化合物的制备方法及其应用，该方法为：溴代烷烃和丙二酸二甲酯反应得到单支链丙二酸二甲酯；溴代烷烃和所得单支链丙二酸二甲酯反应得到双支链丙二酸二甲酯；所得双支链丙二酸二甲酯选择性水解脱羧得到水解产物；所得水解产物还原得到伯醇；所得伯醇进行溴代反应得到溴代物；所得溴代物与环氧乙烷反应得到碳链延长的伯醇化合物；所得碳链延长的伯醇化合物再次进行卤代反应，得到R为相应卤原子的分叉卤代烷基链化合物。该方法为成本低、收率高、操作简便，易于实现产业化的制备工艺。通过在有机共轭聚合物上引入不同分叉长度的烷基链，有效的减少了聚合物间的π‑π堆积距离，提高了聚合物的迁移率。

  公开号：

  CN108821937A
• 作为试剂：
  描述：

  2-辛基十二醇 、 1-芘丁酸 在 4-二甲氨基吡啶 、 2-辛基十二醇 作用下， 以 二氯甲烷 为溶剂， 反应 24.25h， 以40%的产率得到
  参考文献：
  名称：

  使用自互补氢键的互补供体-受体识别对的合理设计

  摘要：

  通过利用供体-受体相互作用的互补性以及氢键的强度，建立了一种适应性强且高效的分子识别对。这种不同的分子识别在正交方向上传播，以实现两个不同附加分子实体的扩展交替共组装。可以通过供体和受体结构单元之间的化学计量不平衡来调节组装结构的尺寸。自组装材料的形态可以与两个构件的比例相关。

  DOI：

  10.1002/chem.201504092

文献信息

• [EN] ACC INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE L'ACC ET UTILISATIONS ASSOCIÉES
  申请人：GILEAD APOLLO LLC

  公开号：WO2017075056A1

  公开（公告）日：2017-05-04

  The present invention provides compounds I and II useful as inhibitors of Acetyl CoA Carboxylase (ACC), compositions thereof, and methods of using the same.

  本发明提供了化合物I和II，这些化合物可用作乙酰辅酶A羧化酶（ACC）的抑制剂，以及它们的组合物和使用方法。
• [EN] COMPOUNDS FOR USE AS PROTON CHANNELS AND METHODS THEREOF<br/>[FR] COMPOSÉS DESTINÉS À ÊTRE UTILISÉS EN TANT QUE CANAUX DE PROTONS ET PROCÉDÉS ASSOCIÉS
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2020159441A1

  公开（公告）日：2020-08-06

  The present disclosure relates generally to compounds or a salt, solvate, stereoisomer and prodrug thereof for forming synthetic membrane channels. The present disclosure also relates to methods of synthesizing the compounds, methods of forming the synthetic membrane channels and methods of use thereof. In particular, the synthetic membrane channels are synthetic proton channels in a lipid membrane.

  本公开涉及一般用于形成合成膜通道的化合物或其盐、溶剂化合物、立体异构体和前药。本公开还涉及合成该化合物的方法、形成合成膜通道的方法以及使用方法。具体而言，合成膜通道是位于脂质膜中的合成质子通道。
• [EN] AGENTS AND METHODS FOR TREATING DYSPROLIFERATIVE DISEASES<br/>[FR] AGENTS ET MÉTHODES POUR TRAITER DES MALADIES DYSPROLIFÉRATIVES
  申请人：MEMORIAL SLOAN KETTERING CANCER CENTER

  公开号：WO2019161345A1

  公开（公告）日：2019-08-22

  Compounds are described with the general formula (I) wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11, R12, and n are defined as anywhere herein, which are useful for the treatment of cancer and other dysproliferative diseases.

  化合物的一般公式为（I），其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12和n的定义如本文的任何地方所述，这些化合物对于治疗癌症和其他增生异常疾病是有用的。
• [EN] SUBSTITUTED PYRIDAZINE CARBOXAMIDE COMPOUNDS AS KINASE INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS DE PYRIDAZINECARBOXAMIDE SUBSTITUÉS UTILES EN TANT QUE COMPOSÉS INHIBITEURS DE KINASE
  申请人：XCOVERY INC

  公开号：WO2009154769A1

  公开（公告）日：2009-12-23

  Pyridazine derivatives have unexpected drug properties as inhibitors of protein kinases and are useful in treating disorders related to abnormal protein kinase activities such as cancer.

  吡啶并呋嗪衍生物作为蛋白激酶抑制剂具有意想不到的药物特性，并可用于治疗与异常蛋白激酶活性相关的疾病，如癌症。
• A Series of Deoxyfluorination Reagents Featuring OCF₂ Functional Groups
  作者：Shiyu Zhao、Yong Guo、Zhaoben Su、Wei Cao、Chengying Wu、Qing-Yun Chen

  DOI：10.1021/acs.orglett.0c03238

  日期：2020.11.6

  utilization of decomposition products of PFECAs. We report herein a new series of deoxyfluorination reagents featuring OCF2 functional groups derived from certain PFECAs. Alkyl fluorides were generated from various alcohols in ≤97% yield by these novel reagents. The mechanistic experiment verified in situ generation of carbonic difluoride (COF2).

  为了保护环境，继续进行全氟烷基醚羧酸（PFECAs）替代全氟烷基物质的研究。但是，关于PFECA分解产物的利用了解甚少。我们在此报告了一系列新的脱氧氟化试剂，其特征在于衍生自某些PFECA的OCF 2官能团。这些新型试剂可从各种醇中生成烷基氟化物，产率≤97％。机理实验证实了原位生成二氟化碳（COF 2）。

表征谱图