2,5-二甲基环己酮

2,5-二甲基环己酮 基本信息
CAS号 932-51-4 分子式 C8H14O
分子量 126.19600 精确质量 　126.10400
PSA 　17.07000 LogP 　2.01160
我要卖该产品 我要采购该产品

等价的CAS号：

932-51-4,21087-33-2,21087-34-3,53288-40-7,66395-22-0,66395-23-1
充值推广 查看更多供应商
目录
基本信息 物化性质 化学图谱 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
932-51-4
3D弹球模型：
立即前往扯扯看
分子式：
C8H14O
分子量：
126.19600
中文名称：
2,5-二甲基环己酮
英文名称：
2,5-dimethylcyclohexan-1-one
中文别名：
2,5-二甲基环己酮;
2,5-二甲基环己酮(顺﹑反式混合体);
2,5-二甲基环己酮(异构体的混合物);
2,5-二甲基环己酮(异构体的混和物)
英文别名：
2,5-dimethylcyclohexan-1-one;
2,5-Dimethyl-cyclohexanon;
2,5-Dimethylcyclohexanone;
cyclohexanone,2,5-dimethyl
精确分子量/精确质量：
126.10400
极性分子表面积/PSA：
17.07000
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。
InChI：
The Key: LUGFNAYTNQMMMY-RNFRBKRXSA-N

物化性质展开↓

密度：
0.91
沸点：
80ºC / 30mmHg
存储条件/存储方法：

密封冷藏

其它信息：

1.      性状：未确定

2.      密度（g/mL,25/4℃）：0.91

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, 30mmHg）：80 °C

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：未确定

化学图谱

  1. 2,5-二甲基环己酮Raman光谱

  2. 2,5-二甲基环己酮质谱(MS)

  3. 2,5-二甲基环己酮红外图谱(IR1)

上一页 1/4 下一页

MSDS 展开↓

  2,5-Dimethylcyclohexanone (mixture of isomers)
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
  Product name:        2,5-Dimethylcyclohexanone (mixture of isomers)    
Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 3
  Flammable liquids
  HEALTH HAZARDS        Not classified    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
  Hazard statements        Flammable liquid and vapour    
  Precautionary statements:
  [Prevention]        Keep away from heat/sparks/open flames/hot surfaces. - No smoking.    
    Keep container tightly closed.
    Use explosion-proof electrical/ventilating/lighting equipment. Take precautionary
    measures against ignition by the static discharge and the spark.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse    
    skin with water/shower.
  [Storage]        Store in a well-ventilated place. Keep cool.    
    Dispose of contents/container through a waste management company authorized by
  [Disposal]
    the local government.
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        2,5-Dimethylcyclohexanone (mixture of isomers)    
  Percent:        >95.0%(GC)    
  CAS Number:        932-51-4    
  Chemical Formula:        C8H14O    
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.
  2,5-Dimethylcyclohexanone (mixture of
  isomers)
Section 4. FIRST AID MEASURES
  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.    
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.
Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, carbon dioxide.    
  media:
  Unsuitable extinguishing Water (It may scatter and spread fire.)
  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: Keep containers cool by
    spraying with water. Eliminate all ignition sources 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
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  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 dry sand or inert absorbent before recovering it into an
  containment and cleaning airtight container. In case of large amount of spillage, contain a spill by bunding.
  up: Adhered or collected material should be promptly disposed of, in accordance with
    appropriate laws and regulations.
  Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
  hazards:        case of a fire. Use spark-proof tools and explosion-proof equipment.    
Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent generation of vapour or mist. Keep away from heat/sparks/open flame/hot
    surfaces. -No smoking. Take measures to prevent the build up of electrostatic
    charge. Use explosion-proof equipment. Wash hands and face thoroughly after
    handling.
    Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol
    will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in an explosion-poof refregerator.    
    Store away from incompatible materials such as oxidizing agents.
    Heat-sensitive
    Comply with laws.
  Packaging material:
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust. Also install safety shower and eye bath.    
  Personal protective equipment
  Respiratory protection: Vapor respirator. Follow local and national regulations.
    Protective gloves.
  Hand protection:
  2,5-Dimethylcyclohexanone (mixture of
  isomers)
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  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    
  Colour:        Colorless - Yellow    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        80°C/4kPa    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        0.91    
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]        No data available    
Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
    Spark, Open flame, Static discharge
  Conditions to avoid:
  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):
  2,5-Dimethylcyclohexanone (mixture of
  isomers)
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:        3: Flammable liquid.    
    1224
  UN-No:
  Proper shipping name:        Ketones, liquid, n.o.s.    
    III
  Packing group:
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.

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：37.21

2、   摩尔体积（m3/mol）：142.9

3、   等张比容（90.2K）：321.9

4、   表面张力（dyne/cm）：25.7

5、   极化率（10-24cm3）：14.75

计算化学数据

1.疏水参数计算参考值（XlogP）:1.9

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:0

5.互变异构体数量:3

6.拓扑分子极性表面积17.1

7.重原子数量:9

8.表面电荷:0

9.复杂度:118

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:2

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

下游产品

更多

  • 95852-33-8

    3,6-dimethyl-2-(3-oxobutyl)cyclohexan-1-one

  • 62097-01-2

    2-methyl-2-(1-methyl-4-methylidenecyclohexyl)cyclopentan-1-one

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP