711-01-3 (1-金刚烷甲酸甲酯,1-Adamantanecarboxylic Acid Methyl Ester)

CAS号:
711-01-3
中文名称:
1-金刚烷甲酸甲酯
英文名称:
1-Adamantanecarboxylic Acid Methyl Ester
分子式:
C12H18O2
分子量:
194.270123958588

1-金刚烷甲酸甲酯(711-01-3)名称与标识符

名称

中文别名:
1-金刚烷甲酸甲酯;1-甲基金刚烷羧酸甲酯;1-金刚烷羧酸甲酯;Methyl 1-Adamantanecarboxylate 1-金刚烷甲酸甲酯;吡唑草胺;金刚烷甲酸甲酯;
英文别名:
Methyl adamantane-1-carboxylate;1-Adamantanecarboxylic Acid Methyl Ester;Adamantane-1-Carboxylic Acid Methyl Ester;Methyl 1-Adamantanecarboxylate;1-ADAMANTANECARBOXYLIC ACID METHYL ESTER,OFF-WHITE SOLID;1-Adamantanecarboxylic acid, methyl ester;CLYOOVNORYNXMD-UHFFFAOYSA-N;Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, methyl ester;Tricyclo(3.3.1.13,7)decane-1-carboxylic acid, methyl ester;(3r,5r,7r)-methyl adamantane-1-carboxylate;methyl adamantanecarboxylate;methyl (3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decane-1-carboxylate;Methyl 1-Adamantane Carb;M2119;Methyl 1-Adamantylcarboxylate;AKOS005429959;DS-3890;1-Adamantylcarboxylic acid methyl ester;SY052808;711-01-3;ChemDiv1_019411;SR-01000396868-1;Methyl-1-adamantanecarboxylate;FT-0658789;HMS642C07;F15468;AE-641/01648019;AKOS001482980;MFCD01838519;1-methoxycarbonyladamantane;DTXSID80221317;SCHEMBL905300;CS-W010647;adamantan-1-carboxylic acid methyl ester;SR-01000396868;A837076;Adamantan-1-carboxylic acid, methyl ester;AKOS006276254;STK362865;methyladamantane-1-carboxylate;DB-003024;ALBB-035053;Tricyclo[3.3.1.13,7]decane-1-carboxylic acid methyl ester;1-(Methoxycarbonyl)adamantane;1-Carbomethoxyadamantane;FA17217;DTXCID80143808;

标识符

MDL:
MFCD01838519
InChIKey:
CLYOOVNORYNXMD-UHFFFAOYSA-N
Inchi:
1S/C12H18O2/c1-14-11(13)12-5-8-2-9(6-12)4-10(3-8)7-12/h8-10H,2-7H2,1H3
SMILES:
O(C)C(C12CC3CC(CC(C3)C1)C2)=O

1-金刚烷甲酸甲酯(711-01-3)物化性质

实验特性

  • LogP : 2.37580
  • PSA : 26.30000
  • 折射率 : 1.529
  • 沸点 : 79°C/1mmHg(lit.)
  • 熔点 : 35.0 to 39.0 deg-C
  • 闪点 : 246.1 °C at 760 mmHg
  • 颜色与性状 : 白色或者黄白色结晶或者结晶性粉末。
  • 溶解性 : 未确定。
  • 敏感性 : 对热敏感
  • 密度 : 1.13

计算特性

  • 精确分子量 : 194.13100
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 194.13068
  • 重原子数量 : 14
  • 复杂度 : 228
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.7
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 26.3

1-金刚烷甲酸甲酯(711-01-3)安全信息

1-金刚烷甲酸甲酯(711-01-3)海关数据

海关编码:
2916209090
海关数据:

中国海关编码:

2916209090

概述:

2916209090 其他(环烷、环烯、环萜烯)一元羧酸(包括酸酐、酰卤化物,过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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

检验检疫类别:

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

Summary:

2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

1-金刚烷甲酸甲酯(711-01-3)推荐厂家 更多厂家(48)

1-金刚烷甲酸甲酯(711-01-3)参考资料

Reaxys RN:
2048611
Beilstein:
9(4)253
PubChem CID:

1-金刚烷甲酸甲酯(711-01-3) MSDS

基础信息

  Methyl 1-Adamantanecarboxylate      Revision number: 5    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        Methyl 1-Adamantanecarboxylate    
    
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
    Not classified
  HEALTH HAZARDS
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols        None    
    No signal word
  Signal word
  Hazard statements        None    
    None
  Precautionary statements:

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        Methyl 1-Adamantanecarboxylate    
  Percent:        >98.0%(GC)    
  CAS Number:        711-01-3    
  Synonyms:        1-Adamantanecarboxylic Acid Methyl Ester    
  Chemical Formula:        C12H18O2    

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:
  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.
  Methyl 1-Adamantanecarboxylate

Section 5. FIRE-FIGHTING MEASURES
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

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.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Handling is performed in a well ventilated place. Wear suitable protective equipment.
  Technical measures:
    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
    Keep container tightly closed. Store in a refrigerator.
  Storage conditions:
    Store away from incompatible materials such as oxidizing agents.
    Heat-sensitive
  Packaging material:        Comply with laws.    

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.    
  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
    Solid
  Physical state (20°C):
  Form:        Crystal- Powder    
  Colour:        White - Very pale yellow    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:37°C
  Boiling point/range:        79°C/0.1kPa    
    No data available
  Flash point:
  Flammability or explosive
  limits:
  Lower:        No data available    
    No data available
  Upper:
  Relative density:        No data available    
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]
  Soluble:        Methanol    

Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Chemical stability:
  Methyl 1-Adamantanecarboxylate

Section 10. STABILITY AND REACTIVITY
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  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:
  Fish:        No data available    
    No data available
  Crustacea:
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
    No data available
  Log Pow:
  Soil adsorption (Koc):        No data available    
    No data available
  Henry's Law
  constant(PaM3/mol):

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.

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

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.
  Methyl 1-Adamantanecarboxylate


SECTION 16 - ADDITIONAL INFORMATION
N/A