甲醇钙

甲醇钙 基本信息
CAS号 2556-53-8 分子式 CH4O.1/2Ca
分子量 104.17072 精确质量  104.01502
PSA  18.46000 LogP  0.19420

基本信息 展开↓

CAS号:
2556-53-8
3D弹球模型:
立即前往扯扯看
分子式:
CH4O.1/2Ca
分子量:
104.17072
中文名称:
甲醇钙
英文名称:
Methanol, calcium salt (2:1)
中文别名:
甲醇钙;
甲氧化鈣
英文别名:
Methanol, calcium salt (2:1);
Calcium methoxide (7CI);
Methanol, calcium salt (8CI,9CI);
AKC 165;
Calcium dimethoxide
精确分子量/精确质量:
104.01502
极性分子表面积/PSA:
18.46000
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:
MFCD00058816
EINECS:
219-873-6
PubChem:
24868191
InChI:
InChI=1/2CH3O.Ca/c2*1-2;/h2*1H3;/q2*-1;+2

物化性质展开↓

外观与性状:
白色粉末和/或大块
熔点:
>385 °C(lit.)
沸点:
48.1ºC at 760 mmHg
闪点:
11.1ºC
蒸汽压:
265mmHg at 25°C
存储条件/存储方法:

密封于阴凉干燥环境

稳定性相关:

如果遵照规格使用和储存则不会分解。

其它信息:

1.       性状: 无可用

2.       密度(g/mL,25/4):  无可用

3.       相对蒸汽密度(g/mL,空气=1): 无可用

4.       熔点(ºC):大于385

5.       沸点(ºC,常压): 无可用

6.       沸点(ºC,5.2kPa):  无可用

7.       折射率:  无可用

8.       闪点(ºC):  无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V): 无可用

19.    溶解性: 无可用

安全信息展开↓

WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R20/22;R36/38;R41
安全说明:
S24-S26-S36-S45
安全标志:
S24:避免接触皮肤。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
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:
Xn:Harmful;

合成路线查看所有的合成路线

  • 67-56-1

    甲醇

  • +

  • 75-20-7

    碳化钙

  • 2556-53-8

    甲醇钙

  • +

  • 74-86-2

    乙炔

  • 67-56-1

    甲醇

  • 141-52-6

    乙醇钠

  • +

  • 2556-53-8

    甲醇钙

  • 7440-70-2

  • 2556-53-8

    甲醇钙

毒理性展开↓

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↓


Section 1: Product Identification
   Chemical Name:       Calcium methoxide, min. 90% (balance methanol)    
   CAS Registry Number:       2556-53-8    
   Formula:       Ca(OCH3)2    
   EINECS Number:       219-873-6    
   Chemical Family:       metal alkoxide    
   Synonym:       calcium methylate in wood spirits, wood alcohol    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       2556-53-8       90%       no data       no data    
   methanol       67-56-1       10%       200ppm       260mg/m3    

Section 3: Hazards Identification
   Irritating to skin, eyes, and respiratory system. Methanol may cause blindness, intoxication, dizziness, coma
   Emergency Overview:
   and death.
   Primary Routes of Exposure:       Inhalation, ingestion, contact with skin and eyes.    
   Eye Contact:       Causes severe irritation of the eyes. Delayed blindness may occur through atrophy of the optic nerve.    
   Skin Contact:       Causes moderate irritation of the skin.    
   Methanol vapor may be irritating to the respiratory tract and cause headache, dizziness, coma, and blindness.
   Inhalation:
   Ingestion:       Ingestion may cause gastrointestinal distress, blindness, convulsions and coma.    
   Irritating to skin, eyes and respiratory tract, cause nausea and vomiting, intoxication, blindness, convulsions,
   Acute Health Affects:
   and coma.
   Prolonged exposure may damage eyes, kidneys, and liver, and cause permanent blindness. In animal studies
   Chronic Health Affects:
   methanol has acted as a mutagen and reproductive effector.
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with soap and water. Remove contaminated clothes if necessary. Seek medical
   Skin Exposure:
   assistance if irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Ingestion:       Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious).    

SECTION 5: Fire Fighting Measures
   Flash Point:       48.2°F (methanol)    
   Autoignition Temperature:       no data    
   Explosion Limits:       6-36% (methanol)    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
   Special Fire Fighting Procedures:
   breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit toxic organic fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: Highly flammable. Formation of explosive air/vapor mixtures is possible in presence of moisture.

SECTION 6: Accidental Release Measures
   Eliminate all ignition sources. Avoid contact with water. Small spills may be adsorbed into diatomaceous earth,
   Spill and Leak Procedures:
   sand, or other suitable adsorbent, and swept up.

SECTION 7: Handling and Storage
   Store in a tightly sealed container in a cool dry place. If container is left open, product may adsorb moisture
   Handling and Storage:
   and carbon dioxide from the atmosphere and release methanol vapor.

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear protective clothing and gloves.    
   Ventilation:       Material may form a vapor upon exposure to air. if possible, handle the material in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Material may form a vapor upon exposure to air. if possible, handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       off-white pwdr.    
   Molecular Weight:       102.15    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       not applicable    
   Specific Gravity:       no data    
   Odor:       woody alcohol odor    
   Solubility in Water:       Reacts with water    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture sensitive solid    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       Keep away from moisture, heat and ignition sources including open flame and electrostatic discharge.    
   Incompatibility:       water, mineral acids, alkali metals, oxidizing agents, acid chlorides, and halogens    
   Decomposition Products:       Carbon dioxide, carbon monoxide, organic vapors, and metal oxides and carbonates.    

SECTION 11: Toxicological Information
   No information available in the RTECS files for title compound. Methanol: eye (rbt) draize: moderate; oral
   (human) TDLo: 3571 ul/kg; oral (human) TDLo: 9450 ul/kg; oral (human) LDLo: 6422 mg/kg; oral (human)
   RTECS Data:
   LDLo: 428 mg/kg; inhalation (human) TCLo: 86000 mg/m3; inhalation (human) TCLo: 300 ppm; inhalation (rat)
   LC50: 64000 ppm/4h.
   Carcinogenic Effects:       No data available    
   Mutagenic Effects:       Methanol: Mutagen    
   Tetratogenic Effects:       Methanol: Reproductive effector    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to local, state and federal regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Flammable solids, Organic, N.O.S.    
   Hazard Class (CFR):       4.1    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       II    
   UN ID Number (CFR):       UN# 1325    
   Shipping Name (IATA):       Flammable solid, Organic, N.O.S.    
   Hazard Class (IATA):       4.1    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       II    
   UN ID Number (IATA):       UN# 1325    

SECTION 15: Regulatory Information
   TSCA:       Listed in the TSCA inventory.    
   SARA (Title 313):       Title compound not listed.    
   Second Ingredient:       Methanol (CAS# 67-56-1): listed in TSCA and SARA.    


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:无可用

2、   摩尔体积(cm3/mol): 无可用

3、   等张比容(90.2K):无可用

4、   表面张力(dyne/cm):无可用

5、   极化率:无可用

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:2

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积46.1

7.重原子数量:5

8.表面电荷:0

9.复杂度:2

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:3

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