皮脂酸二辛酯 | 14491-66-8

• 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: 皮脂酸二辛酯
• 中文别名: 癸二酸二正辛酯
• 英文名称: dioctyl succinate
• 英文别名: dioctyl butanedioate
• CAS: 14491-66-8
• 化学式: C₂₀H₃₈O₄
• 分子量: 342.519
• InChiKey: KWABLUYIOFEZOY-UHFFFAOYSA-N

物化性质

• 沸点：
  225°C/2mmHg
• 密度：
  0.936±0.06 g/cm3(Predicted)
• LogP：
  7.392 (est)
• 保留指数：
  2313;2299

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  24
• 可旋转键数：
  19
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 储存条件：
  室温

SDS

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Section I.Chemical Product and Company Identification
Chemical Name Di-n-octyl Sebacate
Portland OR
Synonym Decanedioic acid, 1,10-diisooctyl ester (CA INDEX
NAME);
Decanedioic Acid Di-n-octyl Ester;
Di-n-octyl Decanedioate;
Sebacic Acid Di-n-octyl Ester
Chemical Formula C26H50O4
CAS Number 14491-66-8

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Section II. Composition and Information on Ingredients
Chemical Name CAS Number Percent (%) TLV/PEL Toxicology Data
Di-n-octyl Sebacate 14491-66-8 Min. 95.0 (GC) Not available. Not available.

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Section III. Hazards Identification
No specific information is available in our data base regarding the toxic effects of this material for humans. However,
Acute Health Effects
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
CARCINOGENIC EFFECTS : Not available.
Chronic Health Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

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Section IV. 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. Remove contaminated clothing and shoes. Wash clothing
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
Inhalation If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Ingestion
Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
material was ingested; the absence of such signs, however, is not conclusive.

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Section V. Fire and Explosion Data
Not available.
Flammability May be combustible at high temperature. Auto-Ignition
Flash Points Not available. Flammable Limits Not available.
Combustion Products These products are toxic carbon oxides (CO, CO2).
Fire Hazards
Not available.
Risks of explosion of the product in presence of mechanical impact: Not available.
Explosion Hazards
Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media SMALL FIRE: Use DRY chemical powder.
LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
and Instructions
Consult with local fire authorities before attempting large scale fire-fighting operations.
Continued on Next Page
Di-n-octyl Sebacate

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Section VI. Accidental Release Measures
Spill Cleanup If the product is in its solid form: Use a shovel to put the material into a convenient waste disposal container. If the product is
in its liquid form: Absorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning
Instructions
the spill by rinsing any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities
for assistance on disposal.

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Section VII. Handling and Storage
Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool
Handling and Storage
place. Avoid excessive heat and light. Do not breathe gas/fumes/ vapor/spray.
Information
Always store away from incompatible compounds such as oxidizing agents.

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Section VIII. Exposure Controls/Personal Protection
Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective
Engineering Controls
threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
Personal Protection
specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
Exposure Limits Not available.

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Section IX. Physical and Chemical Properties
Liquid. (Clear, colorless.) Solubility
Physical state @ 20°C Not available.
0.91 (water=1)
Specific Gravity
Molecular Weight 426.67 Partition Coefficient
Not available.
Boiling Point 225°C (437°F) @ 2 mmHg Vapor Pressure Not available.
19°C (66.2°F) (freezing point) 14.7 (Air = 1)
Melting Point Vapor Density
Refractive Index Not available. Volatility Not available.
Not available. Odorless.
Critical Temperature Odor
Viscosity Not available. Taste Not available.

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Section X. Stability and Reactivity Data

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This material is stable if stored under proper conditions. (See Section VII for instructions)
Stability
Conditions of Instability Avoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents.

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Section XI. Toxicological Information
Not available.
RTECS Number
Eye Contact. Ingestion. Inhalation.
Routes of Exposure
Not available.
Toxicity Data
Chronic Toxic Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
No specific information is available in our data base regarding the toxic effects of this material for humans. However,
Acute Toxic Effects
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this
compound.
Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.

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Section XII. Ecological Information
Not available.
Ecotoxicity
Not available.
Environmental Fate
Continued on Next Page
Di-n-octyl Sebacate

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Section XIII. Disposal Considerations
Waste Disposal Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.

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Section XIV. Transport Information
Not a DOT controlled material (United States).
DOT Classification
PIN Number Not applicable.
Proper Shipping Name Not applicable.
Packing Group (PG) Not applicable.
DOT Pictograms

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Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.
(EPA)
WHMIS Classification On DSL
(Canada)
EINECS Number (EEC) 248-333-2
EEC Risk Statements Not available.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  皮脂酸二辛酯 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 反应 2.5h， 以70%的产率得到dioctyl 2,5-dihydroxycyclohexa-1,4-diene-1,4-dicarboxylate
  参考文献：
  名称：

  Synthesis of s-Indacene Derivatives by Double Robinson-Type Cyclopentene Annulation

  摘要：

  迈克尔反应中，2,5-二氧杂环己烷-1,4-二羧酸酯与甲基乙烯基酮反应生成双加成物，这些加成物可以进一步通过罗宾逊式烯烃环化反应形成s-茴香烯衍生物，且以单一的绝对异构体存在。该骨架的羧酸盐功能可以去保护，随后进行脱羧，生成具有中央芳环的三环产物。

  DOI：

  10.1055/s-2007-983901
• 作为产物：
  描述：

  辛醇 、 丁二酸 在 6H₂O*Na₃[AlMo₆O₁₈(OH)6] 作用下， 以70%的产率得到皮脂酸二辛酯
  参考文献：
  名称：

  用无机配体负载催化剂将生物质衍生的二元酸转化为二酯：合成、优化、表征

  摘要：

  已经进行了几次尝试以从酯化反应中获得脂肪族二羧酸二酯，以开发生物质衍生的平台分子和绿色制造工艺。本文首先报道了一种 Anderson 型多金属氧酸盐 Na 3 (H 2 O) 6 [AlMo 6 O 18 (OH) 6 ] 作为二羧酸合成二酯的催化剂，具有良好的产率和选择性以 1 H 和 13 C 为特征。响应面法 (RSM) 与意愿函数法相结合，确定最佳操作条件，最大琥珀酸二丙酯产率 (77 ± 2.5%) 的最佳反应参数确定为 1.19 mol.% 催化剂负载，4.9:1 丙醇/琥珀酸比，113 °C 和 9.6 小时。即使经过 6 次酯化循环，也进行了三批催化剂回收试验，产率达到 78-75%。此外，为了研究底物范围，增加了底物碳链，获得了满意的结果，所有产品均通过 1 H 和 13 C 核磁共振光谱进行了表征。

  DOI：

  10.1007/s11164-021-04570-z

文献信息

• [EN] TRIAZINE DERIVATIVES AS UV ABSORBERS<br/>[FR] DERIVES DE LA TRIAZINE UTILISES COMME ABSORBANTS U.V.
  申请人：CIBA SC HOLDING AG

  公开号：WO2004064797A1

  公开（公告）日：2004-08-05

  The present invention relates to new compounds of formula (I), wherein R1, R2, R3, R4, R5, R6, R7, and R8 independently from each other are hydrogen; C1-C18alkyl; C2-C18alkenyl; C5-C7,cycloalkyl; C1-C6alkylene-C5- C7,cycloalkyl; R9 is hydrogen; C1-C18alkyl; C2-C18alkenyl; C5-C7cycloalkyl; C1-C6alkylene-C5-C7cycloalkyl; C6-C10aryl; A is-S-; -O- or -NR10-, wherein R10 has the same meanings as R9; X is COOR11; CONR12R13; SO3,R14; or SO2NR15R16, wherein R11, R12,R13, R14,R15, and R16, have independently from each other the same meanings as R9; to their preparation and to their use as UV absorbers in cosmetic and pharmaceutical formulations.

  本发明涉及公式（I）的新化合物，其中R1、R2、R3、R4、R5、R6、R7和R8彼此独立地是氢；C1-C18烷基；C2-C18烯基；C5-C7环烷基；C1-C6烷基-C5-C7环烷基；R9是氢；C1-C18烷基；C2-C18烯基；C5-C7环烷基；C1-C6烷基-C5-C7环烷基；C6-C10芳基；A是-S-；-O-或-NR10-，其中R10具有与R9相同的含义；X是COOR11；CONR12R13；SO3R14；或SO2NR15R16，其中R11、R12、R13、R14、R15和R16彼此独立地具有与R9相同的含义；以及它们的制备和它们作为化妆品和药用配方中的紫外线吸收剂的用途。
• SMALL MOLECULE CMKLR1 ANTAGONISTS IN INFLAMMATORY DISEASE
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US20200345661A1

  公开（公告）日：2020-11-05

  α-NETA analogs are provided for the treatment of inflammatory disease.

  α-NETA类似物用于治疗炎症性疾病。
• BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF
  申请人：SENOMYX, INC.

  公开号：US20160376263A1

  公开（公告）日：2016-12-29

  The present invention includes compounds and compositions known to modify the perception of bitter taste, and combinations of said compositions and compounds with additional compositions, compounds, and products. Exemplary compositions comprise one or more of the following: cooling agents; inactive drug ingredients; active pharmaceutical ingredients; food additives or foodstuffs; flavorants, or flavor enhancers; food or beverage products; bitter compounds; sweeteners; bitterants; sour flavorants; salty flavorants; umami flavorants; plant or animal products; compounds known to be used in pet care products; compounds known to be used in personal care products; compounds known to be used in home products; pharmaceutical preparations; topical preparations; cannabis-derived or cannabis-related products; compounds known to be used in oral care products; beverages; scents, perfumes, or odorants; compounds known to be used in consumer products; silicone compounds; abrasives; surfactants; warming agents; smoking articles; fats, oils, or emulsions; and/or probiotic bacteria or supplements.

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。
• N-Butyl-2,4-dinitro-anilinium p-toluenesulfonate as a highly active and selective esterification catalyst
  作者：Narsimha Sattenapally、Wei Wang、Huimin Liu、Yong Gao

  DOI：10.1016/j.tetlet.2013.09.132

  日期：2013.11

  N-Butyl-2,4-dinitro-anilinium p-toluenesulfonate (1) was found to be a very active esterification catalyst that promotes condensation of equal mole amount of carboxylic acids and alcohols under mild conditions. This catalyst is also highly selective towards carboxylic acid and alcohol substrates at ambient temperature.

  发现 N -Butyl-2,4-dinitro-anilinium p-甲苯磺酸盐( 1 ) 是一种非常活跃的酯化催化剂，可在温和条件下促进等摩尔量的羧酸和醇的缩合。该催化剂在环境温度下对羧酸和醇底物也具有高度选择性。
• Metal Oxide Nanoparticles Coated With Specific N-Acylaminomethylene Phosphonates
  申请人：Ohrlein Reinhold

  公开号：US20090123507A1

  公开（公告）日：2009-05-14

  The present invention relates to new metal oxide nanoparticles coated with specific phosphonates, to the use of these nanoparticles as antimicrobials, especially in the home and personal care areas, to the production of such nanoparticles as well as to the new phosphonates and the corresponding process of production.

  本发明涉及涂有特定膦酸酯的新金属氧化物纳米颗粒，以及将这些纳米颗粒用作抗微生物剂，特别是在家庭和个人护理领域的用途，还涉及这种纳米颗粒的生产，以及新的膦酸酯和相应的生产工艺。

表征谱图