1-Pentanone, 1-phenyl-

物化性质

外观与性状：

无色液体

密度：

0.975 g/mL at 20 °C(lit.)

熔点：

-9 °C

沸点：

244-245 °C(lit.)

闪点：

217 °F

折射率：

n20/D 1.5143(lit.)

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：

1. 常温常压下稳定，避免氧化物接触。

2. 存在于烟气中。

其它信息：

1. 性状：未确定。

2. 密度（g/mL,20℃）：0.986

3. 相对密度（25℃，4℃）：0.9648³⁰

4. 熔点（ºC）：-9.4

5. 沸点（ºC,常压）：244~245

6. 相对密度（20℃，4℃）：0.9630

7. 折射率（n20/D）：0.5158

8. 闪点（ºC,）：102

9. 常温折射率（n²⁵）：1.5125

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：不溶于水，溶于乙醇、乙醚。

安全信息

外观与性状：

无色液体

密度：

0.975 g/mL at 20 °C(lit.)

熔点：

-9 °C

沸点：

244-245 °C(lit.)

闪点：

217 °F

折射率：

n20/D 1.5143(lit.)

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：

1. 常温常压下稳定，避免氧化物接触。

2. 存在于烟气中。

其它信息：

1. 性状：未确定。

2. 密度（g/mL,20℃）：0.986

3. 相对密度（25℃，4℃）：0.9648³⁰

4. 熔点（ºC）：-9.4

5. 沸点（ºC,常压）：244~245

6. 相对密度（20℃，4℃）：0.9630

7. 折射率（n20/D）：0.5158

8. 闪点（ºC,）：102

9. 常温折射率（n²⁵）：1.5125

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：不溶于水，溶于乙醇、乙醚。

毒理性

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

MSDS

Name:	Valerophenone 98% Material Safety Data Sheet
Synonym:	1-Phenyl-1-Pentanone
CAS:	1009-14-9

Section 1 - Chemical Product   MSDS Name:Valerophenone 98% Material Safety Data Sheet
Synonym:1-Phenyl-1-Pentanone
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1009-14-9	Valerophenone	98%	213-767-3

Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1009-14-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: clear light yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 105 - 107 deg C @ 5.00mmHg
Freezing/Melting Point: -9 deg C
Autoignition Temperature: Not applicable.
Flash Point: 102 deg C ( 215.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: .9880g/cm3
Molecular Formula: C11H14O
Molecular Weight: 162.23
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Acids, bases, oxidizing agents, plastics.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1009-14-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Valerophenone - Not listed by ACGIH, IARC, or NTP.
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 1009-14-9: No information available.
Canada
CAS# 1009-14-9 is listed on Canada's DSL List.
CAS# 1009-14-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1009-14-9 is listed on the TSCA inventory.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据

中国海关编码：2914399090

概述：

2914399090. 其他不含其他含氧基的芳香酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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：

2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . 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

1、 摩尔折射率：50.17

2、 摩尔体积（cm³/mol）：170.4

3、 等张比容（90.2K）：411.8

4、 表面张力（dyne/cm）：34.0

5、 介电常数：不可用

6、 偶极距（10^-24cm³）：不可用

7、 极化率：19.89

计算化学数据

1.疏水参数计算参考值（XlogP）:3

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:4

5.互变异构体数量:2

6.拓扑分子极性表面积17.1

7.重原子数量:12

8.表面电荷:0

9.复杂度:134

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