顺-11-二十烯酸甲酯

顺-11-二十烯酸甲酯 基本信息
CAS号 2390-09-2 分子式 C21H40O2
分子量 324.54100 精确质量  324.30300
PSA  26.30000 LogP  6.97710

基本信息 展开↓

CAS号:
2390-09-2
3D弹球模型:
立即前往扯扯看
分子式:
C21H40O2
分子量:
324.54100
中文名称:
顺-11-二十烯酸甲酯
英文名称:
CIS-11-EICOSENOIC ACID METHYL ESTER
中文别名:
顺-11-二十烯酸甲酯;
顺式-11-二十碳烯酸甲酯;
顺-11-二十碳烯酸甲酯
英文别名:
CIS-11-EICOSENOIC ACID METHYL ESTER;
HIS-TRP-SER-TYR-GLY-LEU-ARG-PRO-GLY-NH2;
des-pglu1-luteinizing hormone*releasing hormone;
methyl cis-eicosenoate;
Methyl cis-11-eicosenoate C20:1;
Methyl cis-11-eicosenoate;
gonadotropin releasing-hormone;
methyl cis-11-eicosenoate;
H-His-Trp-Ser-Tyr-Gly-Leu--Arg-Pro-Gly-NH2;
gondoic acid methyl ester;
DES-PGLU1-LH-RH
精确分子量/精确质量:
324.30300
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:
MFCD00010458
EINECS:
219-226-8
PubChem:
24894637
BRN:
1727804
InChI:
The Key: RBKMRGOHCLRTLZ-KHPPLWFESA-N

物化性质展开↓

密度:
0.871g/cm3
沸点:
394.3ºC at 760mmHg
闪点:
87.1ºC
折射率:
1.455
蒸汽压:
1.99E-06mmHg at 25°C
存储条件/存储方法:

-20°C,密闭,阴凉干燥处保存

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险发生

其它信息:

1.       性状:未确定

2.       密度(g/mL at 25 °C:未确定

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):未确定

6.       沸点(ºC,12mmHg):未确定

7.       折射率(n20/D):未确定

8.       闪点(ºC):113

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(hPa,21.1ºC):未确定

12.    饱和蒸气压(kPa,114.4 ºC):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(MPa):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↓

海关代码:
2916190090
WGK_Germany:
1
德国有关水污染物质的分类清单

合成路线查看所有的合成路线

  • 1309765-00-1

    1309765-00-1

  • ~91%

  • 2390-09-2

    顺-11-二十烯酸甲酯

  • 67-56-1

    甲醇

  • +

  • 124-41-4

    甲醇钠

  • 108698-02-8

    顺-7,10,13,16,19-二十二碳五烯酸甲酯

  • +

  • 1937-63-9

    顺式-11-十八烯酸甲酯

  • +

  • 16326-32-2

    γ-亚麻酸甲酯

  • +

  • 2566-89-4

    花生四烯酸甲酯

  • +

  • 1120-25-8

    棕榈油酸甲酯

  • +

  • 112-62-9

    (Z)-油酸甲酯

  • +

  • 112-63-0

    亚油酸甲酯

  • +

  • 2390-09-2

    顺-11-二十烯酸甲酯

  • +

  • 301-00-8

    亚麻酸甲酯

  • +

  • 111-82-0

    月桂酸甲酯

  • +

  • 124-10-7

    五甲基呋喃溴酸酯

  • +

  • 7132-64-1

    十五烷酸甲酯

  • +

  • 112-39-0

    棕榈酸甲酯

  • +

  • 1731-92-6

    十七烷酸甲酯

  • +

  • 112-61-8

    硬酯酸甲酯

  • +

  • 1120-28-1

    花生酸甲酯

  • +

  • 929-77-1

    山嵛酸甲酯

  • +

  • 21061-10-9

    顺式-8,11,14-二十碳三烯酸甲酯

  • +

  • 2734-47-6

    二十碳五烯酸甲酯

  • +

  • 13487-42-8

    顺-7,10,13,16二十二碳四烯酸甲酯

  • +

  • 56219-06-8

    肉豆蔻脑酸甲酯

  • +

  • 35042-75-2

    cis,trans-9,11-methyloctadecadienoate

  • 186581-53-3

    重氮甲烷

  • +

  • 5561-99-9

    顺式-11-二十碳烯酸

  • 2390-09-2

    顺-11-二十烯酸甲酯

MSDS 展开↓


Section 1. Chemical Product and Company Identification
    Methyl cis-11-Eicosenoate
    Common Name/
    Trade Name
    Manufacturer
    Commercial Name(s)
    Synonym
    Chemical Name
    Chemical Family
    Methyl cis-11-Eicosenoate

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 if irritation occurs.
    Skin Contact        Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.    
    Serious Skin Contact        Not available.    
    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.    

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Flash Points        CLOSED CUP: 113°C (235.4°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.
    Risks of explosion of the product in presence of static discharge: Not available.
    of Various Substances
    SMALL FIRE: Use DRY chemical powder.
    Fire Fighting Media
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.    
    Not available.
    Special Remarks on
    Fire Hazards
    Special Remarks on Explosion Not available.
    Hazards

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.
    Methyl cis-11-Eicosenoate

Section 7. Handling and Storage
    Precautions        Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not    
    breathe gas/fumes/ vapor/spray. Keep away from incompatibles such as oxidizing agents.
    Storage        Keep container tightly closed. Keep container in a cool, well-ventilated area. Do not store above -20°C (-4°F).    
    Deep Freeze.

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. Lab coat.
    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.    

Section 9. Physical and Chemical Properties
    Physical state and appearance Liquid.        Not available.    
    Odor
    Taste        Not available.    
    Molecular Weight        324.55 g/mole    
    Color        Not available.    
    pH (1% soln/water)        Not available.    
    Boiling Point        Not available.    
    Melting Point        -15°C (5°F)    
    Critical Temperature        Not available.    
    Not available.
    Specific Gravity
    Vapor Pressure        Not available.    
    Not available.
    Vapor Density
    Volatility        Not available.    
    Odor Threshold        Not available.    
    Not available.
    Water/Oil Dist. Coeff.
    Ionicity (in Water)        Not available.    
    Not available.
    Dispersion Properties
    Solubility        Not available.    

Section 10. Stability and Reactivity Data
    Stability        The product is stable.    
    Not available.
    Instability Temperature
    Conditions of Instability        Excess heat, incompatible materials    
    Incompatibility with various        Reactive with oxidizing agents.    
    substances
    Corrosivity        Not available.    
    Methyl cis-11-Eicosenoate
    Not available.
    Special Remarks on
    Reactivity
    Not available.
    Special Remarks on
    Corrosivity
    Polymerization        Will not occur.    

Section 11. Toxicological Information
    Routes of Entry        Absorbed through skin. Eye contact.    
    Toxicity to Animals        LD50: Not available.    
    LC50: Not available.
    Chronic Effects on Humans Not available.
    Other Toxic Effects on
    Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.
    Humans
    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: May cause skin irritation.    
    Eyes: May cause eye irritation.
    Inhalation: Inhalation of mist or vapor may cause respiratory tract irritation.
    Ingestion: May cause gastrointestial tract irritation.
    The toxicological properties of this substance have not been fully investigated.

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
    Special Remarks on the        Not available.    
    Products of Biodegradation

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

Section 14. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Identification        Not applicable.    
    Not applicable.
    Special Provisions for
    Transport
    Methyl cis-11-Eicosenoate
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    No products were found.
    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.    
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    DSCL (EEC)        This product is not classified according Not applicable.    
    to the EU regulations.
    Health Hazard
    HMIS (U.S.A.)        1 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    1 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    a
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Not applicable.
    Lab coat.
    Not applicable.
    Safety glasses.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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:101.17

2、   摩尔体积(m3/mol):372.2

3、   等张比容(90.2K):879.5

4、   表面张力(dyne/cm):31.1

5、   介电常数(F/m):无可用

6、   偶极距(D):无可用

7、   极化率(10-24cm3):40.10

 

计算化学数据


1、   疏水参数计算参考值(XlogP):8.7

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:18

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):26.3

7、   重原子数量:23

8、   表面电荷:0

9、   复杂度:271

10、同位素原子数量:0

11、确定原子立构中心数量:0

12、不确定原子立构中心数量:0

13、确定化学键立构中心数量:1

14、不确定化学键立构中心数量:0

15、共价键单元数量:1

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