21-docosenoic acid | 53821-23-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 21-docosenoic acid
• 英文别名: 21-Docosensaeure；docos-21-enoic acid；Docos-21-ensaeure；Dokosen-(1)-saeure-(22)；Heneikosen-(20)-carbonsaeure-(1)
• CAS: 53821-23-1
• 化学式: C₂₂H₄₂O₂
• 分子量: 338.574
• InChiKey: APBCNLYLPJQPGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  24
• 可旋转键数：
  20
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2916190090

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 21-DOCOSENOIC ACID
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 53821-23-1
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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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
This substance is not classified as dangerous according to Directive 67/548/EEC.
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Formula : C22H42O2
Molecular Weight : 338,58 g/mol
CAS-No. : 53821-23-1
No components need to be disclosed according to the applicable regulations.

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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
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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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

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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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
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., 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 is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evapouration 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 no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition 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

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
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
In the event of fire: see section 5

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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 sensitisation
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
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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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
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

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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.

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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

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  21-docosenoic acid 在 四氯化碳 、 臭氧 作用下， 生成 二十一烷二酸
  参考文献：
  名称：

  Zur Kenntnis des Kohlenstoffringes XII。德国Herstellung甲基化14、15和17滑环酮酮

  摘要：

  DOI：

  10.1002/hlca.19280110179
• 作为产物：
  描述：

  11-溴十一酸 在 sodium hydroxide 、 硫酸 、 sodium iodide 作用下， 以 水 、 丙酮 、 甲苯 为溶剂， 反应 36.0h， 生成 21-docosenoic acid
  参考文献：
  名称：

  使用有机铜（I）合成脂肪酸，衍生自格氏试剂。

  摘要：

  DOI：

  10.1021/jo00894a605

文献信息

• [EN] FLUORINATED PHOSPHONIC ACIDS<br/>[FR] ACIDES PHOSPHONIQUES FLUORES
  申请人：3M INNOVATIVE PROPERTIES CO

  公开号：WO2003102003A1

  公开（公告）日：2003-12-11

  Fluorinated phosphonic acid compounds, useful as treatments for substrate surfaces, have the formula (I) : wherein: R1 is a straight chain alkylene group having from 3 to 21 carbon atoms, an oxa-substituted straight chain alkylene group having from 2 to 20 carbon atoms, or a thia-substituted straight chain alkylene group having from 2 to 20 carbon atoms; R2 is a perfluoroalkyl group having from 4 to 10 carbon atoms; R3 is hydrogen, an alkali metal cation, or an alkyl group having from 1 to 6 carbon atoms; and M is hydrogen or an alkali metal cation, with the proviso that if R1 is an unsubstituted straight chain alkylene group, then the sum of carbon atoms in R1 and R2 combined is at least 10.

  氟磷酸化合物，用作处理基板表面的药物，其化学式为（I）：其中：R1为具有3至21个碳原子的直链烷基基团，具有2至20个碳原子的氧代取代直链烷基基团，或具有2至20个碳原子的硫代取代直链烷基基团；R2为具有4至10个碳原子的全氟烷基基团；R3为氢、碱金属阳离子，或具有1至6个碳原子的烷基基团；M为氢或碱金属阳离子，但如果R1为未取代的直链烷基基团，则R1和R2中碳原子的总和至少为10。
• Infrared Reflection-Absorption Study of Ordering and Hydrogen Bonding within Chiral and Nonchiral Self-Assembled Monolayers on Gold
  作者：J. W. M. Nissink、J. H. van der Maas

  DOI：10.1366/0003702991945425

  日期：1999.1

  Ordering processes in chiral and racemic monolayers of three phenylalanyl-substituted ω-thiol alkanoic acids on gold have been investigated with the use of infrared reflection absorption spectroscopy. For chiral molecules, packing is influenced by both hydrogen-bonding interactions between the end groups at the air/monolayer interface and the length of the spacer chain within the monolayer. Results for a mixed monolayer of octadecylmercaptane and phenylalanyl-substituted ω-thiol docosanoic acid indicate that formation of large islands of either one of the compounds can be excluded. For a racemic monolayer of phenylalanyl-substituted ω-thiol undecanoic acid, a dense, yet unregular, packing is observed.

  利用红外反射吸收光谱技术，研究了三种苯丙氨酰取代的ω-硫醇烷酸在金表面手性和非手性单层中的排序过程。对于手性分子，包装受到空气/单层界面末端基团之间的氢键作用和单层内间隔链的长度的影响。八十二十硫醇和苯丙氨酰取代的ω-硫醇二十二烷酸混合单层的结果表明，可以排除任何一种化合物形成大岛的可能性。对于苯丙氨酰取代的ω-硫醇十一烷酸的非手性单层，观察到了密集但不规则的包装。
• Radiohalogenation method
  申请人：Research Corporation

  公开号：US04450149A1

  公开（公告）日：1984-05-22

  Organoborane compounds are halogenated by reacting an organoborane with iodinemonochloride, brominemono-chloride or a halide salt in the presence of a mild oxidizing agent.

  有机硼化合物可通过将有机硼烷与碘单氯化物、溴单氯化物或卤化物盐在温和氧化剂的存在下反应，进行卤代反应。
• Fluorinated phosphonic acids
  申请人：3M Innovative Properties Company

  公开号：US20030228469A1

  公开（公告）日：2003-12-11

  Fluorinated phosphonic acid compounds, useful as treatments for substrate surfaces, have the formula: 1 wherein: R 1 is a straight chain alkylene group having from about 3 to about 21 carbon atoms, an oxa-substituted straight chain alkylene group having from about 2 to about 20 carbon atoms, or a thia-substituted straight chain alkylene group having from about 2 to about 20 carbon atoms; R 2 is a perfluoroalkyl group having from about 4 to about 10 carbon atoms; R 3 is hydrogen, an alkali metal cation, or an alkyl group having from about 1 to about 6 carbon atoms; and M is hydrogen or an alkali metal cation, with the proviso that if R 1 is an unsubstituted straight chain alkylene group, then the sum of carbon atoms in R 1 and R 2 combined is at least 10.

  氟磷酸化合物可作为基底表面处理剂，其化学式为：1其中：R1是直链烷基，其碳原子数约为3到21个，氧代取代的直链烷基，其碳原子数约为2到20个，或硫代取代的直链烷基，其碳原子数约为2到20个；R2是全氟烷基，其碳原子数约为4到10个；R3是氢、一种碱金属阳离子或一个碳原子数约为1到6个的烷基；M是氢或一个碱金属阳离子，但如果R1是未取代的直链烷基，则R1和R2的碳原子数之和至少为10。
• Phase change inks containing compounds derived from isocyanate, unsaturated alcohol, and polyol
  申请人：Belelie L. Jennifer

  公开号：US20070123641A1

  公开（公告）日：2007-05-31

  Disclosed is a phase change ink comprising a colorant, an initiator, and a phase change ink carrier, said carrier comprising (A) a first isocyanate-derived compound which is the reaction product of a mixture comprising (1) an isocyanate; and (2) a component comprising (a) an alcohol having at least one ethylenic unsaturation; (b) an amine having at least one ethylenic unsaturation; (c) an acid having at least one ethylenic unsaturation; or (d) mixtures thereof, (B) a second isocyanate-derived compound which is the reaction product of (1) a diisocyanate; (2) a monoalcohol having exactly one hydroxyl group and having at least one ethylenic unsaturation; and (3) a polyol having two or more hydroxyl groups, (C) an optional phase change inducing component, said phase change inducing component containing at least one hydroxyl group, said phase change inducing component having a melting point of about 40° C. or higher, and (D) an optional curable viscosity modifying ester, said ink being curable upon exposure to ultraviolet radiation.

  本发明揭示了一种相变墨水，包括颜料、引发剂和相变墨水载体，其中该载体包括(A)第一异氰酸酯衍生物，其是由混合物反应产生的反应产物组成，所述混合物包括(1)异氰酸酯；和(2)包括(a)至少具有一个乙烯基不饱和度的醇；(b)至少具有一个乙烯基不饱和度的胺；(c)至少具有一个乙烯基不饱和度的酸；或(d)其混合物，(B)第二异氰酸酯衍生物，其是(1)二异氰酸酯；(2)恰好具有一个羟基且至少具有一个乙烯基不饱和度的单醇；和(3)具有两个或更多羟基的多元醇的反应产物，(C)可选的相变诱导组分，所述相变诱导组分含有至少一个羟基，其熔点约为40°C或更高，以及(D)可选的可固化粘度调节酯，该墨水在暴露于紫外辐射下可固化。