3,5-Heptanedione,2,2,6,6-tetramethyl-, ion(1-), potassium (1:1)
- 中文别名:2,2,6,6-四甲基-3,5-庚二酮酸钾
- 中文释义:2,2,6,6-四甲基-3,5-庚二酮酸钾;2,2,6,6-四甲基-3,5-庚烷二酮钾;2-bromodibenzo[b,d]thiophene;2-Pentanamine, N-methyl;3Y1&M1 [WLN];methyl(pentan-2-yl)amine;N-Methyl-2-pentanamine;N-Methylpentan-2-amine;2-N-METHYLAMINOPENTANE;beta-D-Glucopyranoside, (3beta,6alpha,12be
- 英文别名:potassium,2,2,6,6-tetramethylheptane-3,5-dione;
potassium dipivaloylmethanate;
K(dipyvaloylmethanide);
2,2,5-TRIMETHYL-1,3-DIOXANE-5-CARBOXYLIC ACID ETHENYL ESTER;
Potassium enolates of dipivaloylmethane
- CAS No.:22441-14-1
- 分子式:C11H19O2.K
- 分子量:222.37
- 精确分子量:222.10200
- PSA:40.13000
- MDL:MFCD00156522
- InChI:InChI=1/C11H20O2.K/c1-10(2,3)8(12)7-9(13)11(4,5)6;/h7,12H,1-6H3;/q;+1/p-1/b8-7-;
- 分子结构式:
物化性质
- 密度:
- 0.901g/cm3
- 沸点:
- 202.8ºC at 760mmHg
- 闪点:
- 67.2ºC
- 存储条件/存储方法:
- 稳定性相关:
- 其它信息:
1.性状:未确定
2.密度(g/mL,25/4℃):未确定
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):150
6.沸点(ºC,5.2kPa):未确定
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
安全信息
- 密度:
- 0.901g/cm3
- 沸点:
- 202.8ºC at 760mmHg
- 闪点:
- 67.2ºC
- 存储条件/存储方法:
- 稳定性相关:
- 其它信息:
1.性状:未确定
2.密度(g/mL,25/4℃):未确定
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):150
6.沸点(ºC,5.2kPa):未确定
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
MSDS
Section 1: Product Identification
Chemical Name:2,2,6,6-Tetramethyl-3,5-heptanedionato potassium, min. 95%K(TMHD)
CAS Registry Number:22441-14-1
Formula:KC11H19O2
EINECS Number:none
Chemical Family:metal beta-diketonate complexes
Synonym:Dipivaloylmethane, potassium complex
Section 2: Composition and Information on Ingredients
IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL)
Title Compound22441-14-1100%no datano data
Section 3: Hazards Identification
Emergency Overview:No particular hazard associated with this material. May be irritating to skin, eyes and respiratory tract.
Primary Routes of Exposure:Ingestion, inhalation
Eye Contact:May cause slight to mild irritation of the eyes.
Skin Contact:May cause slight to mild irritation of the skin.
Inhalation:May be irritating to the nose, mucous membranes and respiratory tract.
Ingestion:No specific information is available on the physiological effects of ingestion.
Acute Health Affects:May be irritating to skin, eyes and respiratory tract.
Chronic Health Affects:No information available on long-term chronic effects.
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:not applicable
Autoignition Temperature:none
Explosion Limits:none
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 andIf involved in a fire this material may emit toxic organic fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.
SECTION 6: Accidental Release Measures
Spill and Leak Procedures:Small spills can be mixed with vermiculite or sodium carbonate and swept up.
SECTION 7: Handling and Storage
Handling and Storage:Store in a sealed container. Keep away from heat and moisture.
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 appropriate chemical resistant gloves and protective clothing.
Ventilation:Material may form a fine dust. If possible, handle the material in an efficient fume hood.
If in form of fine dust and ventilation is not available a respirator should be worn. The use of respirators
Respirator:
requires a Respirator Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation:Material may form a fine dust. 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:light brown pwdr.
Molecular Weight:222.4
Melting Point:no data
Boiling Point:dec. 150°C
Vapor Pressure:no data
Specific Gravity:no data
Odor:none
Solubility in Water:soluble
SECTION 10: Stability and Reactivity
Stability:hygroscopic
Hazardous Polymerization:no hazardous polymerization
Conditions to Avoid:none
Incompatibility:Oxidizing agents
Decomposition Products:Carbon dioxide, carbon monoxide, organic vapors, and metal oxides and carbonates.
SECTION 11: Toxicological Information
RTECS Data:No information available in the RTECS files.
Carcinogenic Effects:No data available
Mutagenic Effects:No data available
Tetratogenic Effects:No data available
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):Non-hazardous
Hazard Class (CFR):NA
Additional Hazard Class (CFR):NA
Packaging Group (CFR):NA
UN ID Number (CFR):NA
Shipping Name (IATA):Non-hazardous
Hazard Class (IATA):NA
Additional Hazard Class (IATA):NA
Packaging Group (IATA):NA
UN ID Number (IATA):NA
SECTION 15: Regulatory Information
TSCA:Not listed in the TSCA inventory.
SARA (Title 313):Title compound not listed.
Second Ingredient:none
SECTION 16 - ADDITIONAL INFORMATION
N/A
海关数据
中国海关编码:2914190090
- 概述:
- 2914190090 其他不含其他含氧基的无环酮。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
- 申报要素:
- 品名, 成分含量, 用途, 丙酮报明包装
- 摘要/Summary:
- 2914190090 other acyclic ketones without other oxygen function。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%
分子结构与计算化学数据
分子结构数据
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:4
5.互变异构体数量:无
6.拓扑分子极性表面积34.1
7.重原子数量:14
8.表面电荷:0
9.复杂度:194
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:2