2-甲基-3-苯基苯甲醇

2-甲基-3-苯基苯甲醇 基本信息
CAS号 76350-90-8 分子式 C14H14O
分子量 198.26000 精确质量 　198.10400
PSA 　20.23000 LogP 　3.15430
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 毒性 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
76350-90-8
3D弹球模型：
立即前往扯扯看
分子式：
C14H14O
分子量：
198.26000
中文名称：
2-甲基-3-苯基苯甲醇
英文名称：
3-Hydroxymethyl-2-methylbiphenyl
中文别名：
2-甲基-3-苯基苯甲醇;
2-甲基联苯-3-甲醇;
2-甲基-(1,1'-联苯)-3-甲醇;
联苯醇;
3-羟甲基-2-甲基联苯;
2-甲基-3-羟甲基联苯
英文别名：
3-Hydroxymethyl-2-methylbiphenyl;
2-Methyl-3-biphenylmethanol
精确分子量/精确质量：
198.10400
极性分子表面积/PSA：
20.23000
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：
MFCD00134200
PubChem：
24862242
InChI：
InChI=1/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3

生产制备方法及用途展开↓

制备方法

2-甲基-(1,1′-联苯)-3-甲醇是由3-氯-2-甲基联苯与金属镁反应生成格氏试剂,再与聚甲醛二乙酸酯反应得到产品。

合成制备方法

2-甲基-(1，1′-联苯)-3-甲醇是由3-氯-2-甲基联苯与金属镁反应生成格氏试剂，再与聚甲醛二乙酸酯反应得到产品。

用途简介

用作联苯菊酯的中间体。

用途

2-甲基-(1，1′-联苯)-3-甲醇是杀虫剂联苯菊酯的中间体。

物化性质展开↓

外观与性状：
白色至淡黄色晶体粉末
密度：
1.072g/cm3
熔点：
73-76 °C(lit.)
沸点：
330.9ºC at 760 mmHg
闪点：
143ºC
折射率：
1.587
存储条件/存储方法：

存放在密封容器内，并放在阴凉，干燥处。

稳定性相关：

指定条件下稳定，远离氧化物。

其它信息：

1.       性状：固体。

2.       密度（g/mL,25/4℃）：未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：73-76

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC,5.2kPa）：未确定

7.       折射率：未确定

8.       闪点（ºC）：未确定

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：不溶于水，溶于乙醇，苯，甲苯。

安全信息展开↓

海关代码：
2942000000
WGK_Germany：
3
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

  • 502483-86-5

    4-phenyl-1,3-dihydro-2-benzofuran

  • →

    ~96%

  • 76350-90-8

    2-甲基-3-苯基苯甲醇

  • 127168-82-5

    1-溴-2,3-双(溴甲基)苯

  • →

  • 76350-90-8

    2-甲基-3-苯基苯甲醇

  • 576-23-8

    2,3-二甲基溴苯

  • →

  • 76350-90-8

    2-甲基-3-苯基苯甲醇

毒理性展开↓

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

MSDS 展开↓

  3-Hydroxymethyl-2-methylbiphenyl
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
  Product name:        3-Hydroxymethyl-2-methylbiphenyl    
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:        3-Hydroxymethyl-2-methylbiphenyl    
  Percent:        >98.0%(GC)    
  CAS Number:        76350-90-8    
  Synonyms:        2-Methylbiphenyl-3-methanol    
  Chemical Formula:        C14H14O    
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.
  3-Hydroxymethyl-2-methylbiphenyl
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 cool and dark place.
  Storage conditions:
    Store away from incompatible materials such as oxidizing agents.
  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
  Physical state (20°C):        Solid    
  Form:        Crystal- Powder    
  Colour:        White - Slightly pale reddish yellow    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:72°C
  Boiling point/range:        No data available    
  Flash point:        No data available    
  Flammability or explosive
  limits:
    No data available
  Lower:
  Upper:        No data available    
    No data available
  Relative density:
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]        No data available    
Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Chemical stability:
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  3-Hydroxymethyl-2-methylbiphenyl
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):
  Mobility 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 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
  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
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.
  3-Hydroxymethyl-2-methylbiphenyl

SECTION 16 - ADDITIONAL INFORMATION
N/A

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：62.12

2、   摩尔体积（m3/mol）：184.8

3、   等张比容（90.2K）：471.8

4、   表面张力（dyne/cm）：42.4

5、 极化率（10-24cm3）：24.62

计算化学数据

1.疏水参数计算参考值（XlogP）:3

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积20.2

7.重原子数量:15

8.表面电荷:0

9.复杂度:184

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

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  • 502483-86-5

    4-phenyl-1,3-dihydro-2-benzofuran

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  • 127168-82-5

    1-溴-2,3-双(溴甲基)苯

下游产品

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