己二酸二乙烯酯

己二酸二乙烯酯 基本信息
CAS号 4074-90-2 分子式 C10H14O4
分子量 198.21600 精确质量  198.08900
PSA  52.60000 LogP  1.92020

基本信息 展开↓

CAS号:
4074-90-2
3D弹球模型:
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分子式:
C10H14O4
分子量:
198.21600
中文名称:
己二酸二乙烯酯
英文名称:
Divinyl Adipate
中文别名:
己二酸二乙烯酯;
己二酸二己烯酯
英文别名:
Divinyl Adipate;
Adipic Acid Divinyl Ester;
bis(ethenyl) hexanedioate
精确分子量/精确质量:
198.08900
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。
EINECS:
223-792-1
InChI:
InChI=1/C10H14O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-4H,1-2,5-8H2

物化性质展开↓

密度:
1.039g/cm3
沸点:
261.1ºC at 760mmHg
闪点:
122.2ºC
折射率:
1.451
存储条件/存储方法:

避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定

安全信息展开↓

安全说明:
S23-S24/25
安全标志:
S23:不要吸入蒸汽。
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

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  • +

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  • ~50%

  • 4074-90-2

    己二酸二乙烯酯

  • 5130-24-5

    氯甲酸乙烯酯

  • 4074-90-2

    己二酸二乙烯酯

  • 75-07-0

    乙醛

  • +

  • 111-50-2

    己二酰氯

  • 4074-90-2

    己二酸二乙烯酯

化学图谱

  1. 己二酸二己烯酯核磁图(1HNMR)

  2. 己二酸二己烯酯核磁图(13CNMR)

  3. 己二酸二己烯酯质谱(MS)

  4. 己二酸二己烯酯红外图谱(IR1)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AV1800000
CHEMICAL NAME :
Adipic acid, divinyl ester
CAS REGISTRY NUMBER :
4074-90-2
BEILSTEIN REFERENCE NO. :
1785196
LAST UPDATED :
199712
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C10-H14-O4
MOLECULAR WEIGHT :
198.24
WISWESSER LINE NOTATION :
1U1OV4VO1U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 35(10),88,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 35(10),88,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
4300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 35(10),88,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
4300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 35(10),88,1970 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
679 mg/kg/30W-I
TOXIC EFFECTS :
Liver - liver function tests impaired Blood - changes in other cell count (unspecified) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 35(10),88,1970
生态数据:

该物质对环境可能有危害,对水体应给予特别注意

MSDS 展开↓

  Divinyl Adipate (stabilized with MEHQ)      Revision number: 6    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        Divinyl Adipate (stabilized with MEHQ)    
    
  Revision number:        6    

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:
  Other hazards which do not        May cause polimerization.    
  result in classification

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        Divinyl Adipate (stabilized with MEHQ)    
  Percent:        >99.0%(GC)    
  CAS Number:        4074-90-2    
    Adipic Acid Divinyl Ester (stabilized with MEHQ)
  Synonyms:
  Chemical Formula:        C10H14O4    

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.
    Get medical advice/attention if you feel unwell. Rinse mouth.
  Ingestion:
  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:
  Specific hazards arising This substance may polimerize explosively when heated or involved in a fire.
  from the chemical:        Container may explode when heated. Combat fire from a sheltered position.    
  Divinyl Adipate (stabilized with MEHQ)

Section 5. FIRE-FIGHTING MEASURES
  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
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  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
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store away from incompatible materials such as oxidizing agents.
    Light-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- Lump    
  Colour:        White - Almost white    
    Vanilla-like
  Odour:
  pH: No data available
  Melting point/freezing point:28°C (Freezing point)
  Boiling point/range:        No data available    
    No data available
  Flash point:
  Flammability or explosive
  limits:
  Lower:        No data available    
    No data available
  Upper:
  Vapour pressure:        <0.1kPa/25°C    
    No data available
  Relative density:
  Solubility(ies):
    No data available
  [Water]
  [Other solvents]
  Divinyl Adipate (stabilized with MEHQ)

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Soluble:        Methanol    

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Polymerization may occur under the influences of heat, light or on contact with    
    polymelization initiators such as peroxides etc.
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Conditions to avoid:        Heat, Light    
  Incompatible materials: Oxidizing agents, Strong acids, Strong bases, Peroxides
  Hazardous decomposition Carbon monoxide, Carbon dioxide
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        orl-gpg LD50:4300 mg/kg    
    orl-mus LD50:6400 mg/kg
    orl-rat LD50:6400 mg/kg
    orl-rbt LD50:4300 mg/kg
  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    
  RTECS Number:        AV1800000    

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.
  Divinyl Adipate (stabilized with MEHQ)


SECTION 16 - ADDITIONAL INFORMATION
N/A

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