2-Pentyne,4,4-dimethyl-

物化性质

密度：

0.718

熔点：

-82.4ºC

沸点：

83ºC

折射率：

1.4071

存储条件/存储方法：

保持容器密封，储存在阴凉，干燥的地方

稳定性相关：

常温常压下稳定，避免强氧化剂接触

其它信息：

1. 性状：未确定。

2. 密度（g/cm³,25℃）：0.718

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）：83

6. 沸点（ºC,40mm）：未确定

7. 折射率：1.4071

8. 闪点（ºC）：-10

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：

0.718

熔点：

-82.4ºC

沸点：

83ºC

折射率：

1.4071

存储条件/存储方法：

保持容器密封，储存在阴凉，干燥的地方

稳定性相关：

常温常压下稳定，避免强氧化剂接触

其它信息：

1. 性状：未确定。

2. 密度（g/cm³,25℃）：0.718

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）：83

6. 沸点（ºC,40mm）：未确定

7. 折射率：1.4071

8. 闪点（ºC）：-10

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

毒理性

生态数据：

对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境

MSDS

Section 1: Product Identification
Chemical Name:t-Butylmethylacetylene, min. 98%
CAS Registry Number:999-78-0
Formula:C4H9C=C(CH3)
EINECS Number:none
Chemical Family:organic compound
Synonym:4,4-Dimethyl-pent-2-yne
Section 2: Composition and Information on Ingredients
IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL)
Title compound999-78-0100%no datano data
Section 3: Hazards Identification
Emergency Overview:May be irritating to skin, eyes and respiratory tract. May be harmful if swallowed.
Primary Routes of Exposure:Ingestion, skin, eyes
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. May be harmful if swallowed.
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.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.
SECTION 5: Fire Fighting Measures
Flash Point:14°F
Autoignition Temperature:no data
Explosion Limits:no data
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, carbon monoxide and carbon dioxide.
Decomposion Products:
Unusual Fire or Explosion Hazards: Highly flammable liquid. Formation of explosive air/vapor mixtures is possible.
SECTION 6: Accidental Release Measures
Small spills can be mixed with vermiculite, sodium carbonate or other suitable non combustible adsorbent and
Spill and Leak Procedures:
swept up.
SECTION 7: Handling and Storage
Handling and Storage:Store the material in a cool, dry, well ventilated place in a tightly sealed container.
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. Consult with glove manufacturer to determine the proper type of glove.
Ventilation: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 Respiratory
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: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:Colorless liquid
Molecular Weight:96.17
Melting Point:no data
Boiling Point:83°C
Vapor Pressure:no data
Specific Gravity:no data
Odor:not determined
Solubility in Water:insoluble
SECTION 10: Stability and Reactivity
Stability:air and moisture stable
Hazardous Polymerization:No hazardous polymerization
Conditions to Avoid:contact with ignition sources including open flame and electrostatic discharge.
Incompatibility:strong oxidizing agents and halogens
Decomposition Products:carbon monoxide, carbon dioxide and organic fumes
SECTION 11: Toxicological Information
RTECS Data:No information available in the RTECS files.
Carcinogenic Effects:No data
Mutagenic Effects:No data
Tetratogenic Effects:No data
SECTION 12: Ecological Information
Ecological Information:No information available
SECTION 13: Disposal Considerations
Disposal:Dispose of according to federal, state and local regulations.
SECTION 14: Transportation
Shipping Name (CFR):Flammable liquids, N.O.S.
Hazard Class (CFR):3
Additional Hazard Class (CFR):NA
Packaging Group (CFR):II
UN ID Number (CFR):UN# 1993
Shipping Name (IATA):Flammable liquid, N.O.S.
Hazard Class (IATA):3
Additional Hazard Class (IATA):NA
Packaging Group (IATA):II
UN ID Number (IATA):UN# 1993
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：2901299090

概述：

2901299090 其他不饱和无环烃。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:2.0%。普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 用作气体燃料的应报明包装容器容积, 散装货物应报明

摘要/Summary：

2901299090 unsaturated acyclic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率：32.44

2、 摩尔体积（m³/mol）：127.4

3、 等张比容（90.2K）：283.4

4、 表面张力（dyne/cm）：24.6

5、 介电常数（F/m）：2.18

6、 极化率（10^-24cm³）：12.86

计算化学数据

1.疏水参数计算参考值（XlogP）:2.7

2.氢键供体数量:0

3.氢键受体数量:0

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0

7.重原子数量:7

8.表面电荷:0

9.复杂度:101

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