甲基环己烷

外观与性状：

无色液体

密度：

0.77

熔点：

-126.3ºC

沸点：

101ºC

闪点：

-3ºC

水溶解性：

0.1 g/L (20℃)

折射率：

1.421-1.423

存储条件/存储方法：

库房通风低温干燥,与氧化剂、酸类分开存放

稳定性相关：

1.稳定性^[22]  稳定

2.禁配物^[23]  强氧化剂、强酸、强碱、卤素

3.聚合危害^[24]  不聚合

其它信息：

1.性状：无色透明液体，有芳香味。^[1]

2.熔点（℃）：-126.7^[2]

3.沸点（℃）：100.9^[3]

4.相对密度（水=1）：0.77^[4]

5.相对蒸气密度（空气=1）：3.4^[5]

6.饱和蒸气压（kPa）：5.73（25℃）^[6]

7.燃烧热（kJ/mol）：-4565.3^[7]

8.临界温度（℃）：299.1^[8]

9.临界压力（MPa）：3.471^[9]

10.辛醇/水分配系数：3.61^[10]

11.闪点（℃）：-4（CC）；-3.5（OC）^[11]

12.引燃温度（℃）：250^[12]

13.爆炸上限（%）：6.7^[13]

14.爆炸下限（%）：1.2^[14]

15.溶解性：不溶于水，溶于乙醇、乙醚、丙酮、苯、石油醚、四氯化碳等。^[15]

16.溶度参数(J·cm^-3)^0.5：16.270

17.偏心因子：0.235

18.临界压缩因子：0.270

19.临界体积（cm³·mol^-1）：369

20.临界密度（g·cm^-3）：0.266

21.van der Waals面积（cm²·mol^-1）：8.870×10⁹

22.van der Waals体积（cm³·mol^-1）：70.460

23.气相标准燃烧热(焓)(kJ·mol^-1)：-4600.68

24.气相标准声称热(焓)( kJ·mol^-1)：-154.68

25.气相标准熵(J·mol^-1·K^-1) ：343.34

26.气相标准生成自由能( kJ·mol^-1)：27.36

27.气相标准热熔(J·mol^-1·K^-1)：135.8

28.液相标准燃烧热(焓)(kJ·mol^-1)：-4565.29

29.液相标准声称热(焓)( kJ·mol^-1)：-190.08

30.液相标准熵(J·mol^-1·K^-1) ：247.94

31.液相标准生成自由能( kJ·mol^-1)：20.42

32.液相标准热熔(J·mol^-1·K^-1)：184.96

包装等级：

II

海关代码：

2910200000

危险类别码：

R11;R38;R51/53;R65;R67

安全说明：

S16-S33-S61-S62-S9

安全标志：

S9:保持容器在一个有良好通风放的场所。
S16:远离火源。
S33:采取防护措施防止静电发生。
S61:避免排放到环境中。参考专门的说明/安全数据表。
S62:如果不慎吞咽，不要催吐；立刻找医生诊治并出示产品容器或标签。

危险标志：

F:Flammable;Xn:Harmful;N:Dangerousfortheenvironment;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

GV6125000

CHEMICAL NAME :

Cyclohexane, methyl-

CAS REGISTRY NUMBER :

108-87-2

LAST UPDATED :

199712

DATA ITEMS CITED :

35

MOLECULAR FORMULA :

C7-H14

MOLECULAR WEIGHT :

98.21

WISWESSER LINE NOTATION :

L6TJ A1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

2250 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,82,1982

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

41500 mg/m3/2H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,82,1982

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

4 gm/kg

TOXIC EFFECTS :

Gastrointestinal - hypermotility, diarrhea

REFERENCE :

JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 25,199,1943

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

15227 ppm/1H

TOXIC EFFECTS :

Behavioral - general anesthetic Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands

REFERENCE :

JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 25,323,1943

TYPE OF TEST :

LD - Lethal dose

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

>86700 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 25,199,1943 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

10054 ppm/6H/2W-I

REFERENCE :

JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 25,323,1943 *** REVIEWS *** ACGIH TLV-TWA 1610 mg/m3 (400 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 500 ppm (2000 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: 3,162,1971 OSHA PEL (Gen Indu):8H TWA 500 ppm (2000 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 500 ppm (2000 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 500 ppm (2000 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 500 ppm (2000 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 400 ppm (1600 mg/m3) JAN 1993 OEL-BELGIUM:TWA 400 ppm (1610 mg/m3) JAN 1993 OEL-DENMARK:TWA 400 ppm (1600 mg/m3) JAN 1993 OEL-FINLAND:TWA 400 ppm (1600 mg/m3);STEL 500 ppm (2000 mg/m3) JAN 1993 OEL-FRANCE:TWA 400 ppm (1600 mg/m3) JAN 1993 OEL-GERMANY:TWA 500 ppm (2000 mg/m3) JAN 1993 OEL-JAPAN:TWA 400 ppm (1600 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 400 ppm (1600 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 500 ppm (2000 mg/m3) JAN 1993 OEL-POLAND:TWA 500 mg/m3 JAN 1993 OEL-RUSSIA:TWA 400 ppm;STEL 50 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 400 ppm (1600 mg/m3);STEL 800 ppm JAN 1993 OEL-TURKEY:TWA 500 ppm (2000 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 400 ppm (1600 mg/m3);STEL 500 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 METHYLCYCLOHEXANE-air:10H TWA 400 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 47030 No. of Facilities: 1733 (estimated) No. of Industries: 11 No. of Occupations: 9 No. of Employees: 6292 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 47030 No. of Facilities: 1175 (estimated) No. of Industries: 12 No. of Occupations: 11 No. of Employees: 10076 (estimated) No. of Female Employees: 14 (estimated)

毒理学数据：

1、急性毒性：小鼠经口LD50：2250mg /kg；小鼠经吸入LC50：41500mg/m³/2H；兔子经口LDLo：4mg/kg；兔子经吸入LC50：15227ppm/1H；兔子经皮肤接触LD：＞86700mg/kg；

2、其他多剂量毒性：兔子经吸入TCLo：10054ppm/6H/2W-I；

3.急性毒性^[16]

LD50：＞3200mg/kg（大鼠经口）；2250mg/kg（小鼠经口）

LC50：36900mg/m³（小鼠吸入，2h）

4.刺激性^[17]

家兔经皮：500μl（24h），轻度刺激。

家兔经眼：100μl（24h），轻度刺激。

5.亚急性与慢性毒性^[18]   兔暴露于40g/m³，每天6h，每周5天，2周后全部死亡；13.3g/m³,10周共300h，出现肝肾轻微损害。

生态数据：

1.生态毒性^[19]  LC50：72mg/L（96h）（金体美洲鳊鱼）；5.02mg/L（48h）（青鳉）

2.生物降解性  暂无资料

3.非生物降解性   暂无资料

4.生物富集性^[20]  BCF：95~321（鲤鱼，接触浓度100mg/L，接触时间8周）；134~237（鲤鱼，接触浓度10mg/L，接触时间8周）

5.其他有害作用^[21]  该物质对环境有危害，应特别注意对表水、土壤、大气和饮用水的污染。

分子结构数据

1、摩尔折射率：32.37

2、摩尔体积（cm³/mol）：126.4

3、等张比容（90.2K）：279.5

4、表面张力（dyne/cm）：23.9

5、极化率（10-24cm3）：12.83

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:0

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0

7.重原子数量:7

8.表面电荷:0

9.复杂度:42

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

• 
  甲基环己烷质谱(MS)
• 
  甲基环己烷核磁图(¹³CNMR)
• 
  甲基环己烷核磁图(¹HNMR)
• 
  甲基环己烷红外图谱(IR1)