2-Pentanone

物化性质

外观与性状：

透明无色液体带有指甲油的气味

密度：

0.796±0.06 g/cm3

熔点：

-78 °C

沸点：

102.7±3.0 °C

闪点：

7.2±0.0 °C

水溶解性：

Soluble (22 g/L)

折射率：

n20/D 1.39(lit.)

蒸汽压：

2.21mmHg at 25°C

蒸汽密度：

38.6 Torr

存储条件/存储方法：

储存在阴凉、通风良好区，远离热、引火源及不兼容物,当转装5加仑以上物质时，金属容器须接地

稳定性相关：

1.稳定性^[19] 稳定

2.禁配物^[20] 强氧化剂、强还原剂、强碱

3.聚合危害^[21] 不聚合

其它信息：

1.性状：无色液体，有丙酮气味。^[1]

2.熔点（℃）：-78^[2]

3.沸点（℃）：101.7^[3]

4.相对密度（水=1）：0.81^[4]

5.相对蒸气密度（空气=1）：3.0^[5]

6.饱和蒸气压（kPa）：4.7（25℃）^[6]

7.燃烧热（kJ/mol）：-3099.4^[7]

8.临界温度（℃）：290.8^[8]

9.临界压力（MPa）：3.89^[9]

10.辛醇/水分配系数：0.91^[10]

11.闪点（℃）：7（CC）^[11]

12.引燃温度（℃）：452^[12]

13.爆炸上限（%）：8.2^[13]

14.爆炸下限（%）：1.5^[14]

15.溶解性：微溶于水，混溶于乙醇、乙醚。^[15]

16.熔化热（KJ/mol）：10.63

17.体膨胀系数（K^-1）：0.00111

18.临界密度（g·cm^-3）：0.268

19.临界体积（cm³·mol^-1）：321

20.临界压缩因子：0.253

21.偏心因子：0.346

22.气相标准燃烧热(焓)(kJ·mol^-1)：-3137.65

23.气相标准声称热(焓)(kJ·mol^-1)：-259.05

24.气相标准熵(J·mol^-1·K^-1)：378.7

25.气相标准生成自由能(kJ·mol^-1)：-138.0

26.气相标准热熔(J·mol^-1·K^-1)：125.90

27.液相标准燃烧热(焓)(kJ·mol^-1)：-3099.41

28.液相标准声称热(焓)(kJ·mol^-1)：-297.29

29.液相标准熵(J·mol^-1·K^-1)：274.1

30.液相标准生成自由能(kJ·mol^-1)：-145.23

31.液相标准热熔(J·mol^-1·K^-1)：184.2

安全信息

外观与性状：

透明无色液体带有指甲油的气味

密度：

0.796±0.06 g/cm3

熔点：

-78 °C

沸点：

102.7±3.0 °C

闪点：

7.2±0.0 °C

水溶解性：

Soluble (22 g/L)

折射率：

n20/D 1.39(lit.)

蒸汽压：

2.21mmHg at 25°C

蒸汽密度：

38.6 Torr

存储条件/存储方法：

储存在阴凉、通风良好区，远离热、引火源及不兼容物,当转装5加仑以上物质时，金属容器须接地

稳定性相关：

1.稳定性^[19] 稳定

2.禁配物^[20] 强氧化剂、强还原剂、强碱

3.聚合危害^[21] 不聚合

其它信息：

1.性状：无色液体，有丙酮气味。^[1]

2.熔点（℃）：-78^[2]

3.沸点（℃）：101.7^[3]

4.相对密度（水=1）：0.81^[4]

5.相对蒸气密度（空气=1）：3.0^[5]

6.饱和蒸气压（kPa）：4.7（25℃）^[6]

7.燃烧热（kJ/mol）：-3099.4^[7]

8.临界温度（℃）：290.8^[8]

9.临界压力（MPa）：3.89^[9]

10.辛醇/水分配系数：0.91^[10]

11.闪点（℃）：7（CC）^[11]

12.引燃温度（℃）：452^[12]

13.爆炸上限（%）：8.2^[13]

14.爆炸下限（%）：1.5^[14]

15.溶解性：微溶于水，混溶于乙醇、乙醚。^[15]

16.熔化热（KJ/mol）：10.63

17.体膨胀系数（K^-1）：0.00111

18.临界密度（g·cm^-3）：0.268

19.临界体积（cm³·mol^-1）：321

20.临界压缩因子：0.253

21.偏心因子：0.346

22.气相标准燃烧热(焓)(kJ·mol^-1)：-3137.65

23.气相标准声称热(焓)(kJ·mol^-1)：-259.05

24.气相标准熵(J·mol^-1·K^-1)：378.7

25.气相标准生成自由能(kJ·mol^-1)：-138.0

26.气相标准热熔(J·mol^-1·K^-1)：125.90

27.液相标准燃烧热(焓)(kJ·mol^-1)：-3099.41

28.液相标准声称热(焓)(kJ·mol^-1)：-297.29

29.液相标准熵(J·mol^-1·K^-1)：274.1

30.液相标准生成自由能(kJ·mol^-1)：-145.23

31.液相标准热熔(J·mol^-1·K^-1)：184.2

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

SA7875000

CHEMICAL NAME :

2-Pentanone

CAS REGISTRY NUMBER :

107-87-9

BEILSTEIN REFERENCE NO. :

0506058

LAST UPDATED :

199712

DATA ITEMS CITED :

41

MOLECULAR FORMULA :

C5-H10-O

MOLECULAR WEIGHT :

86.15

WISWESSER LINE NOTATION :

3V1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Open irritation test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Human

DOSE/DURATION :

1500 ppm

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - headache Gastrointestinal - nausea or vomiting

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1600 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2000 ppm/4H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

800 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1600 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1600 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

6500 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

13000 ppm/5H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

3700 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

22 gm/m3

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :

Sex chromosome loss and nondisjunction

TEST SYSTEM :

Yeast - Saccharomyces cerevisiae

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 149,339,1985 *** REVIEWS *** ACGIH TLV-STEL 881 mg/m3 (250 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-TWA 705 mg/m3 (200 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 200 ppm (700 mg/m3) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,200,1971 OSHA PEL (Gen Indu):8H TWA 200 ppm (700 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 200 ppm (700 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 200 ppm (700 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 200 ppm (700 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 200 ppm (700 mg/m3);STEL 250 ppm (875 mg/m3) JAN 1993 OEL-BELGIUM:TWA 200 ppm (705 mg/m3);STEL 250 ppm (881 mg/m3) JAN 1993 OEL-DENMARK:TWA 200 ppm (700 mg/m3) JAN 1993 OEL-FINLAND:TWA 200 ppm (700 mg/m3);STEL 250 ppm (875 mg/m3) JAN 1993 OEL-FRANCE:TWA 200 ppm (700 mg/m3) JAN 1993 OEL-GERMANY:TWA 200 ppm (700 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 200 ppm (700 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 200 ppm (700 mg/m3) JAN 1993 OEL-POLAND:TWA 100 mg/m3 JAN 1993 OEL-RUSSIA:STEL 200 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 200 ppm (700 mg/m3);STEL 400 ppm JAN 1993 OEL-TURKEY:TWA 200 ppm (700 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 200 ppm (700 mg/m3);STEL 250 ppm JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO METHYL PROPYL KETONE-air:10H TWA 150 ppmREFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 54480 No. of Facilities: 39 (estimated) No. of Industries: 4 No. of Occupations: 11 No. of Employees: 789 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 54480 No. of Facilities: 930 (estimated) No. of Industries: 17 No. of Occupations: 13 No. of Employees: 8218 (estimated) No. of Female Employees: 1129 (estimated)

毒理学数据：

1.急性毒性^[16]

LD50：16000mg/kg（大鼠经口）；800mg/kg（大鼠腹腔）；1600mg/kg（小鼠经口）；6500mg/kg（兔经皮）

2.刺激性^[17]家兔经皮：405mg，轻度刺激（开放性刺激试验）

3.亚急性与慢性毒性^[18]小鼠吸入3g/m³，每天5h，历时3周，未见体重及血液改变。

生态数据：

1.生态毒性暂无资料

2.生物降解性暂无资料

3.非生物降解性暂无资料

MSDS

第一部分：化学品名称

分子结构与计算化学数据

分子结构数据

1、摩尔折射率：25.24

2、摩尔体积（cm³/mol）：108.1

3、等张比容（90.2K）：236.1

4、表面张力（dyne/cm）：22.6

5、介电常数：

6、偶极距（10^-24cm³）：

7、极化率：10.00

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:1

4.可旋转化学键数量:2

5.互变异构体数量:3

6.拓扑分子极性表面积17.1

7.重原子数量:6

8.表面电荷:0

9.复杂度:47.9

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