壬二酸二甲酯

壬二酸二甲酯 基本信息
CAS号 1732-10-1 分子式 C11H20O4
分子量 216.27400 精确质量  216.13600
PSA  52.60000 LogP  2.06310

基本信息 展开↓

CAS号:
1732-10-1
3D弹球模型:
立即前往扯扯看
分子式:
C11H20O4
分子量:
216.27400
中文名称:
壬二酸二甲酯
英文名称:
Dimethyl nonanedioate
中文别名:
壬二酸二甲酯;
二甲基杜鹃花酸酯;
杜鹃花酸二甲酯;
二甲基壬二酸酯
英文别名:
Dimethyl nonanedioate;
Azelaic Acid Dimethyl Ester;
DiMethyl Azelate;
Dimethyl Nonanedioate;
dimethyl nonanedioate;
Nonanedioic Acid Dimethyl Ester
精确分子量/精确质量:
216.13600
极性分子表面积/PSA:
52.60000
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:
MFCD00025898
EINECS:
217-060-0
PubChem:
24850342
BRN:
1710125
InChI:
InChI=1/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3

物化性质展开↓

密度:
1.007 g/mL at 25 °C(lit.)
熔点:
18 °C
沸点:
156 °C20 mm Hg(lit.)
闪点:
>230 °F
折射率:
n20/D 1.435(lit.)
蒸汽压:
0.00491mmHg at 25°C
存储条件/存储方法:

保持容器密封,储存在阴凉,干燥的地方

稳定性相关:

常温常压下稳定,避免强氧化剂 接触

其它信息:

1.       性状:未确定。

2.       相对密度(25℃,4℃):0.968063.4

3.     相对密度(20℃,4℃):1.0082

4.       熔点(ºC):18

5.       沸点(ºC,常压):15620

6.       常温折射率(n20):1.4367

7.       折射率: 1.435

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(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↓

海关代码:
2917139000
WGK_Germany:
1
德国有关水污染物质的分类清单
安全说明:
S23-S24/25

合成路线查看所有的合成路线

  • 67-56-1

    甲醇

  • +

  • 123-99-9

    杜鹃花酸

  • ~99%

  • 1732-10-1

    壬二酸二甲酯

  • 67-56-1

    甲醇

  • +

  • 13154-29-5

    2-nitrocyclononan-1-one

  • ~78%

  • 1732-10-1

    壬二酸二甲酯

  • 67-56-1

    甲醇

  • +

  • 112-80-1

    油酸

  • ~65%

  • 1732-10-1

    壬二酸二甲酯

  • +

  • 1731-84-6

    壬酸甲酯

化学图谱

  1. 二甲基壬二酸酯核磁图(1HNMR)

  2. 二甲基壬二酸酯核磁图(13CNMR)

  3. 二甲基壬二酸酯红外图谱(IR1)

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毒理性展开↓

毒理学数据:

对皮肤。眼睛 粘膜有刺激

MSDS 展开↓

  Dimethyl Azelate      Revision number: 1    
  SAFETY DATA SHEET

Section 1. BASE INFORMATION
  Product name:        Dimethyl Azelate    

  Revision number:        1    

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS        Not classified    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements
    None
  Pictograms or hazard symbols
  Signal word        No signal word    
    None
  Hazard statement
  Precautionary statements        None    

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Component(s):        Dimethyl Azelate    
  Percent:        >98.0%(GC)    
  CAS Number:        1732-10-1    
  Synonyms:        Azelaic Acid Dimethyl Ester , Dimethyl Nonanedioate , Nonanedioic Acid Dimethyl    
    Ester
  Chemical Formula:        C11H20O4    

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.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with    
    water/shower. 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.    
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Extinguishing media not to Solid streams of water
  be used:
  Dimethyl Azelate

Section 5. FIRE-FIGHTING MEASURES
  Specific methods:        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:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
  emergency procedures: around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
  containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
  up: material should be promptly disposed of, in accordance with appropriate laws and
    regulations.

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

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: Vapor respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid    
  Form:        clear    
  Color:        Colorless - Pale yellow    
  Odor:        No data available    
  pH: No data available
  Melting point/freezing point:18 °C
  Boiling Point/Range:        140 °C    
  Flash Point:        No data available    
  Explosive limits
  Lower:        No data available    
  Upper:        No data available    
  Density:        1.01    
  Solubility:        No data available    

Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.    
    No special reactivity has been reported.
  Reactivity:
  Incompartible materials: oxidizing agents
  Dimethyl Azelate

Section 10. STABILITY AND REACTIVITY
  Hazardous Decomposition Carbon monoxide, Carbon dioxide
  Products:

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

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

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
    disposing of the substance.

Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
    Not Listed
  UN-No:

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


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2917139000

概述:
2917139000 其他壬二酸及其盐和酯。监管条件:无。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, 对苯二甲酸请注明4-CBA值, 对苯二甲酸请注明P-TL酸值, 对苯二甲酸请注明色度, 对苯二甲酸请注明水分
摘要/Summary:
2917139000 azelaic acid, sebacic acid, their salts and esters VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:10

5.互变异构体数量:无

6.拓扑分子极性表面积52.6

7.重原子数量:15

8.表面电荷:0

9.复杂度:169

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:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

上下游相关产品

上游产品

更多
  • 120-87-6

    9,10-二羟基硬脂酸

  • 67-56-1

    甲醇

  • 123-99-9

    杜鹃花酸

  • 13154-29-5

    2-nitrocyclononan-1-one

  • 112-62-9

    (Z)-油酸甲酯

下游产品

更多
  • 3937-56-2

    1,9-壬二醇

  • 3788-56-5

    9-羟基壬酸

  • 41059-02-3

    9-溴壬酸

  • 4549-33-1

    1,9-二溴壬烷

  • 4900-30-5

    1,8-壬二烯

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