十六碳烯酸 | 629-56-1

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: 十六碳烯酸
• 中文别名: 2-十六烯酸；2-反-十六烯酸；2-十六碳烯酸
• 英文名称: 2-hexadecenoic acid
• 英文别名: hexadecenoic acid；gaidic acid；Hexadec-2-enoic acid
• CAS: 629-56-1
• 化学式: C₁₆H₃₀O₂
• 分子量: 254.413
• InChiKey: ZVRMGCSSSYZGSM-UHFFFAOYSA-N

物化性质

• 熔点：
  49°C
• 沸点：
  374.4°C (estimate)
• 密度：
  0.8855 (rough estimate)
• 溶解度：
  在热甲醇中几乎透明

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  18
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.812
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 安全说明：
  S26,S36
• 储存条件：
  室温且干燥

SDS

2-Hexadecenoic Acid
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 2-Hexadecenoic Acid

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Skin corrosion/irritation Category 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Warning
Hazard statements Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Wash hands thoroughly after handling.
[Prevention]
Wear protective gloves/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
[Response]
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 2-Hexadecenoic Acid
Percent: >98.0%(T)
CAS Number: 629-56-1
Synonyms: Gaidic Acid
C16H30O2
Chemical Formula:

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
2-Hexadecenoic Acid

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Section 4. FIRST AID MEASURES
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Crystal- Powder
Form:
Colour: White - Pale yellow
No data available
Odour:
pH: No data available
Melting point/freezing point:49°C
2-Hexadecenoic Acid

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Boiling point/range: No data available
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
[Water] No data available
No data available
[Other solvents]

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide
products:

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Section 11. TOXICOLOGICAL INFORMATION
No data available
Acute Toxicity:
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
No data available
IARC =
NTP = No data available
No data available
Reproductive toxicity:

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
Log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
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 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed
2-Hexadecenoic Acid

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

十六碳烯酸是一种生物化学试剂，可用作生物材料或有机化合物，广泛应用于生命科学的相关研究中。

反应信息

• 作为反应物：
  描述：

  十六碳烯酸 在 氢碘酸 、 溶剂黄146 作用下， 生成 3-碘-十六烷酸
  参考文献：
  名称：

  Robinet, Bulletin des Societes Chimiques Belges, 1931, vol. 40, p. 722

  摘要：

  DOI：
• 作为产物：
  描述：

  2-iodopalmitic acid 生成 十六碳烯酸
  参考文献：
  名称：

  Robinet, Bulletin des Societes Chimiques Belges, 1931, vol. 40, p. 722

  摘要：

  DOI：

文献信息

• Polymerisable di- and triesters from Tall Oil Fatty Acids and related compounds
  作者：Marc R. L. Furst、Thomas Seidensticker、David J. Cole-Hamilton

  DOI：10.1039/c3gc37071b

  日期：——

  Tall Oil Fatty Acids, a low value side product from the paper industry containing mainly oleic and linoleic acids, are used for producing the polyester precursor, dimethyl 1,19-nonadecanedioate by methoxycarbonylation in the presence of [Pd2(dba)3], 1,2-bis(ditertiarybutylphosphinomethyl)benzene and methanesulfonic acid in methanol. The methoxycarbonylation of methyl linoleate has been used to identify

  妥尔油 脂肪酸造纸业的低价值副产品，主要包含油酸和亚油酸，用于生产聚酯前体， 1,19-壬二酸二甲酯在[Pd 2（dba）3 ]存在下通过甲氧羰基化反应，1,2-双（二叔丁基膦基甲基）苯 和 甲磺酸 在 甲醇。甲氧羰基化亚油酸甲酯已用于识别形成的其他产品，并已开发出使其最小化的方法。它也已经用于生产三甲基十七烷三羧酸酯。最后，共轭不饱和酯类 对不同链长（最多16个C原子）（其中一些可从植物油中获得）进行甲氧基羰基化，得到α，ω-二酯。
• Efficient Iridium-Catalyzed Decarbonylation Reaction of Aliphatic Carboxylic Acids Leading to Internal or Terminal Alkenes
  作者：Shinji Maetani、Takahide Fukuyama、Nobuyoshi Suzuki、Daisuke Ishihara、Ilhyong Ryu

  DOI：10.1021/om1009268

  日期：2011.3.28

  Vaska’s complex, IrCl(CO)(PPh3)2, when combined with KI as an additive, served as an excellent catalyst for the decarbonylation of long-chain aliphatic carboxylic acids to give internal alkenes with high selectivity. On combination with KI and Ac2O as additives under controlled temperatures, decarbonylation proceeded to give terminal alkenes with high selectivity.

  Vaska的络合物IrCl（CO）（PPh 3）2与KI作为添加剂结合使用时，可作为长链脂肪族羧酸脱羰基生成高选择性内链烯烃的出色催化剂。在控制温度下与KI和Ac 2 O作为添加剂结合使用时，进行脱羰反应可得到具有高选择性的末端烯烃。
• Analysis of chain length, substitution patterns, and unsaturation of AM-404 derivatives as 20S proteasome stimulators
  作者：Rachel A. Coleman、Christine S. Muli、Yizhou Zhao、Atul Bhardwaj、Timothy R. Newhouse、Darci J. Trader

  DOI：10.1016/j.bmcl.2018.12.030

  日期：2019.2

  arachidonic acid derivative. AM-404 has previously been shown to inhibit fatty acid amide hydrolase activity. We wished to evaluate what structural components of AM-404 are required to stimulate the 20S CP with the long-term goal of using this information to design a stimulator with better drug-like qualities. We synthesized numerous derivatives of AM-404, varying the chain length, substitutions, and degree

  蛋白酶体介导的蛋白质降解是一个重要的细胞过程，由泛素依赖性蛋白酶体系统（UPS）和泛素非依赖性蛋白酶体系统（UIPS）执行。虽然这两个系统对于维持健康的细胞功能都是必需的，但许多疾病状态的特点是 UPS 活性降低，而 UIPS 本身无法维持适当的蛋白质水平。有人建议，20S 核心颗粒 (20S CP) 是 UIPS 中蛋白酶体的亚型，可以降解没有泛素标签的蛋白质，可以用小分子刺激，以帮助 20S CP 更快地接受和水解底物。此后发现了几种 20S CP 的小分子刺激剂，包括 AM-404（一种花生四烯酸衍生物）。AM-404 先前已被证明可以抑制脂肪酸酰胺水解酶活性。我们希望评估 AM-404 需要哪些结构成分来刺激 20S CP，长期目标是利用这些信息来设计具有更好的类药物品质的刺激器。我们合成了许多 AM-404 的衍生物，改变了链长、取代基和不饱和度。通过这一努力，我们获得了几种能够不同程度刺激
• BENZOTRIAZOLE COMPOUND
  申请人：MIYOSHI OIL & FAT CO.,LTD.

  公开号：US20200325107A1

  公开（公告）日：2020-10-15

  Provided is a benzotriazole compound that efficiently absorbs ray having a long wavelength of 360-400 nm, i) having excellent solubility in a monomer of a resin raw material, being dissolvable at a high concentration, polymerizing at excellent reactivity, and yielding a high-molecular-weight resin member and a transparent resin member, or ii) having exceptional heat resistance. This benzotriazole compound is represented by formula (I), where at least one of R 1 -R 9 is represented by formula (i-1), (where R 10 and R11 are hydrocarbon groups, etc., and R 12 is represented by formula (i-2) or formula (i-3) (in formula (i-2), A 1 represents a divalent group selected from nitrogen-Containing groups, oxygen-containing groups, sulfur-containing groups, phosphorus-containing groups, and phenylene groups, and R 12a -R 12c and X represent hydrocarbon groups, etc.; and in formula (i-3), A 2 represents a divalent group selected from nitrogen-containing groups, oxygen-containing groups, sulfur-containing groups, and phosphorus-containing groups, and X a and X b represent hydrocarbon groups, etc.)).

  提供了一种苯并三唑化合物，能够高效吸收波长在360-400纳米之间的射线，i）在树脂原料的单体中具有优良的溶解性，能够以高浓度溶解，具有优异的反应性进行聚合，形成高分子量树脂成员和透明树脂成员，或者ii）具有异常的耐热性。该苯并三唑化合物由式（I）表示，其中R1-R9中至少一个由式（i-1）表示，（其中R10和R11为碳氢基团等，R12由式（i-2）或式（i-3）表示（在式（i-2）中，A1表示从氮含基团、氧含基团、硫含基团、磷含基团和苯基团中选择的二价基团，R12a-R12c和X表示碳氢基团等；在式（i-3）中，A2表示从氮含基团、氧含基团、硫含基团和磷含基团中选择的二价基团，Xa和Xb表示碳氢基团等）。
• 二亚乙基胺-(2-苯并三氮唑)-(2′-长碳链烯 烃基)双咪唑啉缓蚀剂及制备方法
  申请人：陕西省石油化工研究设计院

  公开号：CN107903249B

  公开（公告）日：2019-10-22

  本发明公开了一种二亚乙基胺‑(2‑苯并三氮唑)‑(2′‑长碳链烯烃基)双咪唑啉缓蚀剂及其制备方法，该缓蚀剂的结构式为式中R代表碳链数为C7～C23的单烯基或双烯基，其是以四亚乙基五胺、4‑羧基苯并三氮唑和长碳链烯羧酸为原料，二甲苯为携水剂，在微波条件下通过常压回流和减压回流两步升温法进行酰胺化反应和环化反应制备而成，具有反应时间短、加热快速均匀、效率高、渗透力强、产物易于分离等特点。本发明缓蚀剂结构中引入了苯并三氮唑基团，使其对铜的缓蚀作用加强，不但可以应用于煤制乙醇汽油中减缓对铜的腐蚀，而且可以应用于酸性介质或含CO2和H2S的油田采出水中以减缓对碳钢的腐蚀。