焦碳酸二甲酯

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

焦碳酸二甲酯 基本信息

中文名称:
焦碳酸二甲酯 
中文别名:
焦碳酸二甲酯;
二碳酸二甲酯 
英文名称:
Dicarbonic acid,C,C'-dimethyl ester
英文别名:
Dimethyl dicarbonate;
DMPC Dimethyl pyrocarbonate Pyrocarbonic acid dimethyl ester;
methoxycarbonyl methyl carbonate 
CAS No.:
4525-33-1
分 子 式:
C4H6O5
分 子 量:
134.09
精确分子量:
134.02200
PSA:
61.83000
MDL:
MFCD00008419
EINECS:
224-859-8
BRN:
956715
InChI:
InChI=1/C4H6O5/c1-7-3(5)9-4(6)8-2/h1-2H3
风险术语:
R21/22;R23;R34;
安全术语:
S18;S26;S28;S36/37/39;S38;S45;
分子结构式:
SDS:
查看

焦碳酸二甲酯 物化性质

密度:
1.242g/cm3
熔点:
15-17ºC
沸点:
171.4ºC at 760mmHg
闪点:
80ºC
折射率:
n20/D 1.392(lit.)
存储条件/存储方法:
库房通风低温干燥,与食品原料分开储运
稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险发生

避免强氧化剂,强碱

其它信息:

1.       性状:无色液体

2.       密度(g/mL at 25°C1.25

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,5mmHg):45-46

7.       折射率(n20/D):未确定

8.       闪点(ºC):80

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(mmHg,37ºC):未确定

12.    饱和蒸气压(kPa,114.4 ºC):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(MPa):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

焦碳酸二甲酯 安全信息

包装等级:
II
风险类别:
6.1(a)
海关代码:
2920909090
危险类别码:
R21/22
安全说明:
18-26-28-36/37/39-38-45
安全标志:
S18:搬运及打开容器时要当心。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S28:接触皮肤之后,立即使用大量皂液洗涤。
S38:在通风不良的场所,佩戴合适的呼吸装置。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
T

焦碳酸二甲酯 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HT0362500
CHEMICAL NAME :
Dicarbonic acid, dimethyl ester
CAS REGISTRY NUMBER :
4525-33-1
LAST UPDATED :
199806
DATA ITEMS CITED :
3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
711 mg/m3/4H
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0545284 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/m3/6H/5D-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0545284
毒理学数据:

1 急性毒性:大鼠吸入LC50711 mg/m3/4H

焦碳酸二甲酯 MSDS


Section 1. Chemical Product and Company Identification
    Dimethyl Dicarbonate
    Common Name/
    Trade Name
    Manufacturer
    Commercial Name(s)
    Synonym
    Chemical Name
    Chemical Family
    Dimethyl Dicarbonate

Section 4. First Aid Measures
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at    
    least 15 minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Cover the irritated skin with an emollient. Remove    
    contaminated clothing and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get
    medical attention.
    Serious Skin Contact        Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek immediate    
    medical attention.
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get    
    medical attention immediately.
    Serious Inhalation        Not available.    
    Ingestion        Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an    
    unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
    clothing such as a collar, tie, belt or waistband.
    Serious Ingestion        Not available.    

Section 5. Fire and Explosion Data
    Flammability of the Product Combustible.
    Auto-Ignition Temperature Not available.
    Flash Points        CLOSED CUP: 80°C (176°F).    
    Flammable Limits        Not available.    
    Products of Combustion        These products are carbon oxides (CO, CO2).    
    Fire Hazards in Presence of Flammable in presence of open flames and sparks, of heat.
    Various Substances        Non-flammable in presence of shocks.    
    Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
    of Various Substances        Risks of explosion of the product in presence of static discharge: Not available.    
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.    
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.    
    Special Remarks on        Not available.    
    Fire Hazards
    Special Remarks on Explosion Not available.
    Hazards

Section 6. Accidental Release Measures
    Small Spill        Absorb with an inert material and put the spilled material in an appropriate waste disposal.    
    Large Spill        Combustible material.    
    Keep away from heat. Keep away from sources of ignition. Stop leak if without risk. If the product is in its solid
    form: Use a shovel to put the material into a convenient waste disposal container. If the product is in its liquid
    form: Absorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning
    by spreading water on the contaminated surface and allow to evacuate through the sanitary system.
    Dimethyl Dicarbonate

Section 7. Handling and Storage
    Precautions        Keep locked up.. Keep away from heat. Keep away from sources of ignition. Ground all equipment containing    
    material. Do not ingest. Do not breathe gas/fumes/ vapor/spray. Wear suitable protective clothing. In case of
    insufficient ventilation, wear suitable respiratory equipment. If ingested, seek medical advice immediately and
    show the container or the label. Avoid contact with skin and eyes. Keep away from incompatibles such as
    oxidizing agents, alkalis.
    Storage        Air sensitive. Moisture sensitive Keep container in a cool, well-ventilated area. Keep container tightly closed and    
    sealed until ready for use. Avoid all possible sources of ignition (spark or flame). Refrigerate. Do not store above
    4°C (39.2°F).

Section 8. Exposure Controls/Personal Protection
    Engineering Controls        Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their    
    respective threshold limit value. Ensure that eyewash stations and safety showers are proximal to the
    work-station location.
    Personal Protection        Splash goggles. Lab coat. Vapor respirator. Be sure to use an approved/certified respirator or equivalent.    
    Gloves.
    Personal Protection in Case of Splash goggles. Full suit. Vapor respirator. Boots. Gloves. A self contained breathing apparatus should be
    a Large Spill        used to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist    
    BEFORE handling this product.
    Exposure Limits        Not available.    

Section 9. Physical and Chemical Properties
    Physical state and appearance Liquid.        Odor        Not available.    
    Taste        Not available.    
    Not available.
    Molecular Weight
    Color        Colorless.    
    pH (1% soln/water)        Not available.    
    45.5°C (113.9°F)
    Boiling Point
    Melting Point        16°C (60.8°F)    
    Not available.
    Critical Temperature
    Specific Gravity        1.254 (Water = 1)    
    Vapor Pressure        Not available.    
    Vapor Density        Not available.    
    Volatility        Not available.    
    Odor Threshold        Not available.    
    Water/Oil Dist. Coeff.        Not available.    
    Not available.
    Ionicity (in Water)
    Dispersion Properties        Not available.    
    Solubility        Not available.    
    Dimethyl Dicarbonate

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Instability Temperature        Not available.    
    Heat, ignition sources (sparks, flames), air, moisture, incompatible materials
    Conditions of Instability
    Reactive with oxidizing agents, alkalis.
    Incompatibility with various
    substances
    Corrosivity        Not available.    
    Special Remarks on        Air sensitive. Moisture sensitive    
    Reactivity
    Special Remarks on        Not available.    
    Corrosivity
    Polymerization        Will not occur.    

Section 11. Toxicological Information
    Routes of Entry        Absorbed through skin. Eye contact. Inhalation.    
    Toxicity to Animals        Acute oral toxicity (LD50): 260 mg/kg [Rat].    
    Chronic Effects on Humans Not available.
    Other Toxic Effects on        Hazardous in case of skin contact (irritant), of ingestion, of inhalation.    
    Humans
    Special Remarks on        Not available.    
    Toxicity to Animals
    Special Remarks on        Not available.    
    Chronic Effects on Humans
    Special Remarks on other        Acute Potential Health Effects:    
    Toxic Effects on Humans        Skin: Causes skin irritation.    
    Eyes: Exposure to vapor or mist will cause eye irritation.
    Inhalation: Inhalationi of vapor or mist may be irritating to mucous membranes and upper respiratory tract. May
    affect behavior/central nervous system. Symptoms may include somnolence, tremor. May also affect respiratory
    system (dyspnea), and metabolism
    Ingestion: May cause gastrointestinal tract irritation.
    The toxicological properties of this substance have not been fully investigated.

Section 12. Ecological Information
    Ecotoxicity        Not available.    
    BOD5 and COD        Not available.    
    Products of Biodegradation        Possibly hazardous short term degradation products are not likely. However, long term degradation products may    
    arise.
    Toxicity of the Products        The products of degradation are less toxic than the product itself.    
    of Biodegradation
    Special Remarks on the        Not available.    
    Products of Biodegradation
    Dimethyl Dicarbonate

Section 13. Disposal Considerations
    Waste Disposal        Waste must be disposed of in accordance with federal, state and local environmental    
    control regulations.

Section 14. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Not applicable.
    Identification
    Not applicable.
    Special Provisions for
    Transport
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    TSCA 8(b) inventory: Dimethyl Dicarbonate
    Federal and State
    Regulations
    California
    Proposition 65
    Warnings
    Other Regulations        OSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200).    
    EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances.
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    DSCL (EEC)        R22- Harmful if swallowed.        S1/2- Keep locked up and out of the reach of    
    R23- Toxic by inhalation.        children.    
    R36/38- Irritating to eyes and skin.        S45- In case of accident or if you feel unwell,    
    seek medical advice immediately (show the
    label where possible).
    S46- If swallowed, seek medical advice
    immediately and show this container or label.
    Health Hazard
    HMIS (U.S.A.)        2 National Fire Protection    
    2 Flammability
    2 Association (U.S.A.)
    Fire Hazard
    2 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    h
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    Dimethyl Dicarbonate
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Lab coat.
    Vapor respirator. Be sure to use an
    approved/certified respirator or
    equivalent.


SECTION 16 - ADDITIONAL INFORMATION
N/A

焦碳酸二甲酯 海关数据

中国海关编码:2920909090

概述:
2920909090 其他无机酸酯(不包括卤化氢的酯)(包括其盐及它们的卤化,磺化,硝化和亚硝化衍生物)。监管条件:无。增值税率:17.0%。退税率:9.0%。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
摘要/Summary:
2920909090 esters of other inorganic acids of non-metals (excluding esters of hydrogen halides) and their salts; their halogenated, sulphonated, nitrated or nitrosated derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

焦碳酸二甲酯 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):0.7

2.氢键供体数量:0

3.氢键受体数量:5

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积61.8

7.重原子数量:9

8.表面电荷:0

9.复杂度:104

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

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