4-叔丁基甲苯

外观与性状：

无色液体

密度：

0.858 g/mL at 25 °C(lit.)

熔点：

-54 °C

沸点：

191 °C(lit.)

闪点：

150 °F

水溶解性：

0.06 g/100 mL (20 ºC)

折射率：

n20/D 1.492(lit.)

存储条件/存储方法：

库房通风低温干燥,与食品原料、氧化剂分开储运

稳定性相关：

避免与强氧化剂接触。

其它信息：

1.      性状：无色、具芳香气味的液体。

2.      密度（g/mL,25℃）：0.86

3.      相对蒸汽密度（g/mL,空气=1）：未确定

4.      熔点（ºC）：-52.4

5.      沸点（ºC,常压）：192.8

6.      沸点（ºC, kPa）：未确定

7.      折射率：1.492

8.      闪点（ºC）：54

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（mmHg, 40ºC）：未确定

12.   饱和蒸气压（kPa, 25ºC）：0.087

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。

包装等级：

III

风险类别：

6.1

海关代码：

29029080

WGK_Germany：

2
德国有关水污染物质的分类清单

危险类别码：

R10;R22;R23;R36/37/38

安全说明：

S16-S26-S36/37/39-S45-S28A-S61

RTECS号：

XS8400000

安全标志：

S16:远离火源。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S28:接触皮肤之后，立即使用大量皂液洗涤。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
S61:避免排放到环境中。参考专门的说明/安全数据表。
:

危险标志：

T:Toxic;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

XS8400000

CHEMICAL NAME :

Toluene, p-tert-butyl-

CAS REGISTRY NUMBER :

98-51-1

BEILSTEIN REFERENCE NO. :

2038670

LAST UPDATED :

199712

DATA ITEMS CITED :

40

MOLECULAR FORMULA :

C11-H16

MOLECULAR WEIGHT :

148.27

WISWESSER LINE NOTATION :

1X1&1&R D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Human

REFERENCE :

AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 9,227,1954

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 9,227,1954

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 9,227,1954 ** ACUTE TOXICITY DATA **

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Human

DOSE/DURATION :

10 ppm/3M

TOXIC EFFECTS :

Gastrointestinal - nausea or vomiting

REFERENCE :

AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 9,227,1954

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Human

DOSE/DURATION :

20 ppm/5M

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - conjunctive irritation Sense Organs and Special Senses (Taste) - change in function Gastrointestinal - nausea or vomiting

REFERENCE :

28ZRAQ "Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960 Volume(issue)/page/year: -,156,1960

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1555 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea

REFERENCE :

AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 9,227,1954

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

165 ppm/8H

TOXIC EFFECTS :

Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands

REFERENCE :

AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 9,227,1954

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

778 mg/kg

TOXIC EFFECTS :

Behavioral - muscle weakness Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :

AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 9,227,1954

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

248 ppm/4H

TOXIC EFFECTS :

Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - excitement

REFERENCE :

AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 9,227,1954

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

1728 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Behavioral - muscle weakness

REFERENCE :

AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 9,227,1954

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

16934 mg/kg

TOXIC EFFECTS :

Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :

AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 9,227,1954 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

20 ppm/6H/14D-I

TOXIC EFFECTS :

Brain and Coverings - recordings from specific areas of CNS

REFERENCE :

PHTOEH Pharmacology and Toxicology (Copenhagen). (Munksgaard International Pub., POB 2148, DK-1016 Copenhagen K, Denmark) V.60- 1987- Volume(issue)/page/year: 76,36,1995

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

850 ppm/1H/5D-I

TOXIC EFFECTS :

Autonomic Nervous System - other (direct) parasympathomimetic Lungs, Thorax, or Respiration - acute pulmonary edema Related to Chronic Data - death

REFERENCE :

AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 9,227,1954

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

50 ppm/2H/26W-I

TOXIC EFFECTS :

Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in leukocyte (WBC) count

REFERENCE :

AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 9,227,1954

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

25 ppm/2H/73D-I

TOXIC EFFECTS :

Liver - changes in liver weight

REFERENCE :

AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 9,227,1954

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

50 ppm/7H/37D-I

REFERENCE :

AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 9,227,1954 *** REVIEWS *** ACGIH TLV-TWA 6.1 mg/m3 (1 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 10 ppm (60 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: 3,34,1971 OSHA PEL (Gen Indu):8H TWA 10 ppm (60 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 10 ppm (60 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 10 ppm (60 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 10 ppm (60 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 10 ppm (61 mg/m3);STEL 20 ppm (122 mg/m3) JAN 1993 OEL-AUSTRIA:TWA 10 ppm (60 mg/m3) JAN 1993 OEL-DENMARK:TWA 10 ppm (60 mg/m3) JAN 1993 OEL-FINLAND:TWA 10 ppm (60 mg/m3);STEL 20 ppm (120 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 10 ppm (60 mg/m3) JAN 1993 OEL-GERMANY:TWA 10 ppm (60 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 10 ppm (60 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 10 ppm (60 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 10 ppm (60 mg/m3);STEL 20 ppm (120 mg/m3) JAN 1993 OEL-TURKEY:TWA 10 ppm (60 mg/m3) 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 p-tert-BUTYLTOLUENE-air:10H TWA 10 ppm;STEL 20 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 - 14930 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 187 (estimated)

毒理学数据：

1、  急性毒性：大鼠经口LD50：1500 mg/kg

生态数据：

该物质对环境有危害，建议不要让其进入环境。对水体和大气可造成污染。

 

分子结构数据

1、   摩尔折射率：49.46

2、   摩尔体积（cm³/mol）：172.3

3、   等张比容（90.2K）：392.9

4、   表面张力（dyne/cm）：26.9

5、   介电常数：2.35

6、   偶极距（10^-24cm³）：

7、 极化率：19.60

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: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:11

8.表面电荷:0

9.复杂度:111

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

• 
  4-叔丁基甲苯核磁图(¹³CNMR)
• 
  4-叔丁基甲苯核磁图(¹HNMR)
• 
  4-叔丁基甲苯红外图谱(IR1)
• 
  4-叔丁基甲苯红外图谱(IR2)
• 
  4-叔丁基甲苯Raman光谱