花生四烯酸甲酯

花生四烯酸甲酯 基本信息
CAS号 2566-89-4 分子式 C21H34O2
分子量 318.49300 精确质量  318.25600
PSA  26.30000 LogP  6.30510

基本信息 展开↓

CAS号:
2566-89-4
3D弹球模型:
立即前往扯扯看
分子式:
C21H34O2
分子量:
318.49300
中文名称:
花生四烯酸甲酯
英文名称:
methyl arachidonate
中文别名:
花生四烯酸甲酯;
花生四烯酸甲基酯
英文别名:
methyl arachidonate;
Methyl arachidonate;
Arachidonic acid methyl ester;
METHYL ARACHIDONATE
精确分子量/精确质量:
318.25600
极性分子表面积/PSA:
26.30000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00016775
EINECS:
219-900-1
PubChem:
24891434
BRN:
1714445
InChI:
The Key: OFIDNKMQBYGNIW-ZKWNWVNESA-N

生产制备方法及用途展开↓

制备方法


生化研究。气相色谱分析标准。

用途简介


用途


生化研究。气相色谱分析标准。

物化性质展开↓

密度:
0.901 g/cm3
沸点:
403.9ºC at 760 mmHg
闪点:
102ºC
折射率:
1.485
蒸汽压:
9.81E-07mmHg at 25°C
存储条件/存储方法:

充氩密封-18℃以下干燥避光保存

稳定性相关:

1. 如果遵照规格使用和储存则不会分解。

2. 存在于烟叶中。

其它信息:

 1.      性状:液体对湿和空气敏感。

2.      密度(g/mL,20/4℃): 0.901

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):未确定

5.      沸点(ºC,常压):200-205(0.27kPa),127-128(0.0001kPa)

6.      沸点(ºC,5.2kPa):403.9

7.      折射率:(nD/20)1.4797-1.4810易燃

8.      闪点(ºC):102

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(kPa,25ºC):未确定

12.   饱和蒸气压(kPa,60ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:未确定

安全信息展开↓

风险类别:
4.2
海关代码:
2916190090
危险类别码:
R19
安全说明:
9-16-29-33-60-61-62
安全标志:
S9:保持容器在一个有良好通风放的场所。
S16:远离火源。
S29:不要将残余物倾入排水口。
S33:采取防护措施防止静电发生。
S60:本物质残余物和容器必须作为危险废物处理。
S61:避免排放到环境中。参考专门的说明/安全数据表。
S62:如果不慎吞咽,不要催吐;立刻找医生诊治并出示产品容器或标签。
危险标志:
F,Xn,N

合成路线查看所有的合成路线

  • 186581-53-3

    重氮甲烷

  • +

  • 506-32-1

    花生四烯酸

  • ~99%

  • 2566-89-4

    花生四烯酸甲酯

  • 80764-54-1

    methyl 8-oxooct-5-enoate

  • +

  • 83606-41-1

    (Z,Z)-3,6-dodecadienyltriphenylphosphonium bromide

  • ~72%

  • 2566-89-4

    花生四烯酸甲酯

  • 67-56-1

    甲醇

  • +

  • 69205-93-2

    arachidonic acid imidazolide

  • ~1%

  • 2566-89-4

    花生四烯酸甲酯

  • +

  • 197508-63-7

    197508-63-7

毒理性展开↓

生态数据:

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : Methyl arachidonate    
    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.        : 2566-89-4    
  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
  Classification according to Regulation (EC) No 1272/2008
    Self-heating substances and mixtures (Category 2), H252
    For the full text of the H-Statements mentioned in this Section, see Section 16.
    Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC.
  Label elements
  Labelling according Regulation (EC) No 1272/2008
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    H252        Self-heating in large quantities; may catch fire.    
    Precautionary statement(s)
    P235 + P410        Keep cool. Protect from sunlight.    
    Supplemental Hazard        none    
    Statements
  Other hazards
    This substance/mixture contains no components considered to be either persistent, bioaccumulative and
    toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

SECTION 3: Composition/information on ingredients
  Substances
    Synonyms        : Arachidonic acid methyl ester    
    Formula        : C21H34O2    
    Molecular weight        : 318,49 g/mol    
    CAS-No.        : 2566-89-4    
    No components need to be disclosed according to the applicable regulations.
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Consult a physician.
  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. Consult a physician.
  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

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 firefighting if necessary.
  Further information
    Use water spray to cool unopened containers.

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas.
    For personal protection see section 8.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
    place in container for disposal according to local regulations (see section 13).
  Reference to other sections
    For disposal see section 13.

SECTION 7: Handling and storage
  Precautions for safe handling
    Keep away from sources of ignition - No smoking.
    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. Containers which are
    opened must be carefully resealed and kept upright to prevent leakage.
    Recommended storage temperature -20 °C
    Air and moisture sensitive.
    Storage class (TRGS 510): Pyrophoric and self-heating hazardous materials
  Specific end use(s)
    Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  Eye/face protection
    Face shield and safety glasses 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
    Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
    with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
    to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
    respirator. Use respirators and components tested and approved under appropriate government
    standards such as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: liquid    
    Colour: light yellow
    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) 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        No data available    
    n) Water solubility        No data available    
    o) Partition coefficient: n- No data available
    octanol/water
    p) Auto-ignition        Self-heating in large quantities; may catch fire.    
    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
    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

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.

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
    This substance/mixture contains no components considered to be either persistent, bioaccumulative and
    toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
  Other adverse effects
    No data available

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
    as this material is highly flammable. 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: 3183        IMDG: 3183        IATA: 3183    
  UN proper shipping name
    ADR/RID: SELF-HEATING LIQUID, ORGANIC, N.O.S. (Methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-
    tetraenoate)
    IMDG: SELF-HEATING LIQUID, ORGANIC, N.O.S. (Methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-
    tetraenoate)
    IATA:        Self-heating liquid, organic, n.o.s. (Methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate)    
  Transport hazard class(es)
    ADR/RID: 4.2        IMDG: 4.2        IATA: 4.2    
  Packaging group
    ADR/RID: III        IMDG: III        IATA: III    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    No data available

SECTION 15: Regulatory information
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    No data available
  Chemical Safety Assessment
    For this product a chemical safety assessment was not carried out

SECTION 16: Other information
  Full text of H-Statements referred to under sections 2 and 3.
  Further information
    Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

海关数据查看详细

中国海关编码:2916190090

概述:
2916190090 其他不饱和无环一元羧酸(包括其酸酐、酰卤化物,过氧化物和过氧酸以及它们的衍生物)。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:101.34

2、   摩尔体积(cm3/mol):353.1

3、   等张比容(90.2K):841.2

4、   表面张力(dyne/cm):32.2

5、   极化率(10-24cm3):40.17

计算化学数据


1、   疏水参数计算参考值(XlogP):6.6

2、   氢键供体数量:0

3、   氢键受体数量:2

4、   可旋转化学键数量:15

5、   拓扑分子极性表面积(TPSA):26.3

6、   重原子数量:23

7、   表面电荷:0

8、   复杂度:375

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:4

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

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  • 506-32-1

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  • 80764-54-1

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  • 83606-41-1

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