4-乙基-1,3-二恶烷-2-酮

4-乙基-1,3-二恶烷-2-酮 基本信息
CAS号 4437-85-8 分子式 C5H8O3
分子量 116.11500 精确质量 　116.04700
PSA 　35.53000 LogP 　0.93180
我要卖该产品 我要采购该产品

等价的CAS号：

4437-85-8,90970-72-2,90971-04-3,127128-77-2
充值推广 查看更多供应商
目录
基本信息 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：
4437-85-8
3D弹球模型：
立即前往扯扯看
分子式：
C5H8O3
分子量：
116.11500
中文名称：
4-乙基-1,3-二恶烷-2-酮
英文名称：
1,2-Butylene Carbonate
中文别名：
4-乙基-1,3-二恶烷-2-酮;
碳酸1,2-丁烯酯;
4-乙基-1,3-二噁烷-2-酮
英文别名：
1,2-Butylene Carbonate;
4-ETHYL-1,3-DIOXOLAN-2-ONE;
4-Ethyl-1,3-dioxolan-2-one
精确分子量/精确质量：
116.04700
极性分子表面积/PSA：
35.53000
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：
MFCD00143317
EINECS：
403-780-4
InChI：
The Key: ZZXUZKXVROWEIF-UHFFFAOYSA-N

物化性质展开↓

外观与性状：
透明无色液体
密度：
1.107g/cm3
熔点：
-45ºC
沸点：
238.7ºC at 760mmHg
闪点：
128.4ºC
折射率：
1.426-1.428
存储条件/存储方法：
库房干燥,通风,低温
稳定性相关：

避免与不相容材料接触。与强氧化剂反应。

其它信息：

1.      性状：无色透明液体

2.      密度（g/mL,20℃）：1.141

3.      相对蒸汽密度（g/mL,空气=1）：未确定

4.      熔点（ºC）：-45

5.      沸点（ºC,常压）：251

6.      沸点（ºC,0.2mmHg）：未确定

7.      折射率(n20/D)：1.426-1.428

8.      闪点（ºC）：135

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（mPa,20ºC）：未确定

12.   饱和蒸气压（kPa,25ºC）：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↓

包装等级：
III
风险类别：
3.2
安全说明：
S24/25
安全标志：
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

  • 106-88-7

    1,2-环氧丁烷

  • +

  • 124-38-9

    二氧化碳

  • →

    ~99%

  • 4437-85-8

    4-乙基-1,3-二恶烷-2-酮

  • 201230-82-2

    carbon monoxide

  • +

  • 584-03-2

    1,2-丁二醇

  • →

    ~95%

  • 4437-85-8

    4-乙基-1,3-二恶烷-2-酮

  • 124-38-9

    二氧化碳

  • +

  • 1774-47-6

    三甲基碘化亚砜

  • +

  • 123-38-6

    丙醛

  • →

    ~63%

  • 4437-85-8

    4-乙基-1,3-二恶烷-2-酮

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JI4582000
CHEMICAL NAME :
1,3-Dioxolan-2-one, 4-ethyl-
CAS REGISTRY NUMBER :
4437-85-8
BEILSTEIN REFERENCE NO. :
0108553
LAST UPDATED :
199701
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C5-H8-O3
MOLECULAR WEIGHT :
116.13

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,12,1990
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,12,1990 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,11,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,11,1990
毒理学数据：

1、皮肤/眼睛刺激性

标准的Draize试验：兔子，皮肤接触：500mg；反应的严重程度：轻度。

标准的Draize试验：兔子，眼睛接触：100mg；反应的严重程度：轻度。

2、急性毒性：大鼠经口LD50：>5mg/kg；兔子经皮肤接触LD50：>2mg/kg；

MSDS 展开↓

  1,2-Butylene Carbonate      Revision number: 1    
  SAFETY DATA SHEET
Section 1. BASE INFORMATION
  Product name:        1,2-Butylene Carbonate    

  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):        1,2-Butylene Carbonate    
  Percent:        >98.0%(GC)    
  CAS Number:        4437-85-8    
  Synonyms:        4-Ethyl-1,3-dioxolan-2-one    
  Chemical Formula:        C5H8O3    
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.    
    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, water spray, carbon dioxide.    
  media:
  Extinguishing media not to Solid streams of water
  be used:
  1,2-Butylene Carbonate
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 - Very pale yellow    
  Odor:        Characteristic    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling Point/Range:        74 °C/0.2kPa    
  Flash Point:        135°C    
  Explosive limits
  Lower:        No data available    
  Upper:        No data available    
  Vapor Density:        4    
  Density:        1.15    
  Solubility:        No data available    
  Autoignition Temperature:        421°C    
Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.    
  1,2-Butylene Carbonate
Section 10. STABILITY AND REACTIVITY
  Reactivity:        No special reactivity has been reported.    
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide
  Products:
Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: skn-rbt 500 mg MLD
    eye-rbt 100 mg MLD
  Serious eye
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
  NTP =        No data available    
  Reproductive toxicity:        No data available    
  RTECS Number:        JI4582000    
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):
  Mobillity 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 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): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
    prescribed.
  1,2-Butylene Carbonate

SECTION 16 - ADDITIONAL INFORMATION
N/A

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:3

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积35.5

7.重原子数量:8

8.表面电荷:0

9.复杂度:99.8

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:1

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

  • 201230-82-2

    carbon monoxide

  • 584-03-2

    1,2-丁二醇

  • 106-88-7

    1,2-环氧丁烷

  • 124-38-9

    二氧化碳

  • 1774-47-6

    三甲基碘化亚砜

下游产品

更多

  • 67-56-1

    甲醇

  • 584-03-2

    1,2-丁二醇

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