butyl acetate

物化性质

外观与性状：

无色液体带有一种水果的气味

密度：

0.88 g/mL at 25 °C(lit.)

熔点：

−78 °C(lit.)

沸点：

124-126 °C(lit.)

闪点：

74 °F

水溶解性：

0.7 g/100 mL (20 ºC)

折射率：

n20/D 1.394(lit.)

蒸汽压：

11.5mmHg at 25°C

蒸汽密度：

4 (vs air)

存储条件/存储方法：

库房通风低温干燥,与氧化剂分开存放

稳定性相关：

1.化学性质：与低级同系物相比，乙酸丁酯难溶于水，也较难水解。但在酸或碱的作用下，水解生成乙酸和丁醇。乙酸丁酯在石英管中加热至500℃时，分解为乙酸和丁烯。与氮一起通过500℃的玻璃棉时，主要生成1-丁烯，少量的副产物有丙烯、2-丁烯、乙烯等。以氧化铝为催化剂加热至300~330℃，生成氯丁烷、氯代异丁烷、乙酸异丁酯，以及少量的甲烷、乙烷、丙烷、丁烯等。与苯一起在氯化铝存在下加热生成丁基苯及少量4-丁基苯乙酮。将乙酸丁酯用丁醇钠处理生成乙酰乙酸丁酯。与异丙醇铝一起加热生成乙酸异丙酯和丁基铝。乙酸丁酯也能发生醇解、氨解、酯交换等酯类共有的反应。发生光氯化反应时，得到7.0% 1-氯取代物和30% 4-氯取代物。乙酸丁酯与三氯化铝形成加成化合物，该化合物在0℃时为液体，132℃以上分解。

2.稳定性^[21] 稳定

3.禁配物^[22] 强氧化剂、碱类、酸类

4.聚合危害^[23] 不聚合

其它信息：

1.性状：无色透明液体，有水果香味。^[1]

2.熔点（℃）：-76.8^[2]

3.沸点（℃）：126.1^[3]

4.相对密度（水=1）：0.88^[4]

5.相对蒸气密度（空气=1）：4.1^[5]

6.饱和蒸气压（kPa）：1.2（20℃）^[6]

7.燃烧热（kJ/mol）：-3463.5^[7]

8.临界温度（℃）：305.9^[8]

9.临界压力（MPa）：3.1^[9]

10.辛醇/水分配系数：1.82^[10]

11.闪点（℃）：22（CC）^[11]

12.引燃温度（℃）：421^[12]

13.爆炸上限（%）：7.6^[13]

14.爆炸下限（%）：1.2^[14]

15.溶解性：微溶于水，溶于乙醇、乙醚、烃类等多数有机溶剂。^[15]

16.黏度（mPa·s,20ºC）：0.734

17.蒸发热（KJ/kg,b.p.）：309.3

18.生成热（KJ/mol）：499.9

19.比热容（KJ/(kg·K),19.41ºC,定压）：2.08

20.比热容（KJ/(kg·K),20ºC,定压）：1.91

21.电导率（S/m,25ºC）：13×10^-9

22.体膨胀系数（K^-1）：0.0011

23.临界压力（MPa）：3.14

24.偏心因子：0.410

25.溶度参数(J·cm^-3)^0.5：17.582

26.van der Waals面积（cm²·mol^-1）：1.049×10¹⁰

27.van der Waals体积（cm³·mol^-1）：73.230

28.气相标准燃烧热(焓)(kJ·mol^-1)：-3590.83

29.气相标准声称热(焓)( kJ·mol^-1) ：-485.22

30.液相标准燃烧热(焓)(kJ·mol^-1)：-3547.24

31.液相标准声称热(焓)( kJ·mol^-1)：-528.82

32.液相标准热熔(J·mol^-1·K^-1)：228

安全信息

外观与性状：

无色液体带有一种水果的气味

密度：

0.88 g/mL at 25 °C(lit.)

熔点：

−78 °C(lit.)

沸点：

124-126 °C(lit.)

闪点：

74 °F

水溶解性：

0.7 g/100 mL (20 ºC)

折射率：

n20/D 1.394(lit.)

蒸汽压：

11.5mmHg at 25°C

蒸汽密度：

4 (vs air)

存储条件/存储方法：

库房通风低温干燥,与氧化剂分开存放

稳定性相关：

1.化学性质：与低级同系物相比，乙酸丁酯难溶于水，也较难水解。但在酸或碱的作用下，水解生成乙酸和丁醇。乙酸丁酯在石英管中加热至500℃时，分解为乙酸和丁烯。与氮一起通过500℃的玻璃棉时，主要生成1-丁烯，少量的副产物有丙烯、2-丁烯、乙烯等。以氧化铝为催化剂加热至300~330℃，生成氯丁烷、氯代异丁烷、乙酸异丁酯，以及少量的甲烷、乙烷、丙烷、丁烯等。与苯一起在氯化铝存在下加热生成丁基苯及少量4-丁基苯乙酮。将乙酸丁酯用丁醇钠处理生成乙酰乙酸丁酯。与异丙醇铝一起加热生成乙酸异丙酯和丁基铝。乙酸丁酯也能发生醇解、氨解、酯交换等酯类共有的反应。发生光氯化反应时，得到7.0% 1-氯取代物和30% 4-氯取代物。乙酸丁酯与三氯化铝形成加成化合物，该化合物在0℃时为液体，132℃以上分解。

2.稳定性^[21] 稳定

3.禁配物^[22] 强氧化剂、碱类、酸类

4.聚合危害^[23] 不聚合

其它信息：

1.性状：无色透明液体，有水果香味。^[1]

2.熔点（℃）：-76.8^[2]

3.沸点（℃）：126.1^[3]

4.相对密度（水=1）：0.88^[4]

5.相对蒸气密度（空气=1）：4.1^[5]

6.饱和蒸气压（kPa）：1.2（20℃）^[6]

7.燃烧热（kJ/mol）：-3463.5^[7]

8.临界温度（℃）：305.9^[8]

9.临界压力（MPa）：3.1^[9]

10.辛醇/水分配系数：1.82^[10]

11.闪点（℃）：22（CC）^[11]

12.引燃温度（℃）：421^[12]

13.爆炸上限（%）：7.6^[13]

14.爆炸下限（%）：1.2^[14]

15.溶解性：微溶于水，溶于乙醇、乙醚、烃类等多数有机溶剂。^[15]

16.黏度（mPa·s,20ºC）：0.734

17.蒸发热（KJ/kg,b.p.）：309.3

18.生成热（KJ/mol）：499.9

19.比热容（KJ/(kg·K),19.41ºC,定压）：2.08

20.比热容（KJ/(kg·K),20ºC,定压）：1.91

21.电导率（S/m,25ºC）：13×10^-9

22.体膨胀系数（K^-1）：0.0011

23.临界压力（MPa）：3.14

24.偏心因子：0.410

25.溶度参数(J·cm^-3)^0.5：17.582

26.van der Waals面积（cm²·mol^-1）：1.049×10¹⁰

27.van der Waals体积（cm³·mol^-1）：73.230

28.气相标准燃烧热(焓)(kJ·mol^-1)：-3590.83

29.气相标准声称热(焓)( kJ·mol^-1) ：-485.22

30.液相标准燃烧热(焓)(kJ·mol^-1)：-3547.24

31.液相标准声称热(焓)( kJ·mol^-1)：-528.82

32.液相标准热熔(J·mol^-1·K^-1)：228

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

AF7350000

CHEMICAL NAME :

Acetic acid, butyl ester

CAS REGISTRY NUMBER :

123-86-4

BEILSTEIN REFERENCE NO. :

1741921

LAST UPDATED :

199806

DATA ITEMS CITED :

58

MOLECULAR FORMULA :

C6-H12-O2

MOLECULAR WEIGHT :

116.18

WISWESSER LINE NOTATION :

4OV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Human

REFERENCE :

JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 25,282,1943

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,515,1979

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,196,1992 ** ACUTE TOXICITY DATA **

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Human

DOSE/DURATION :

200 ppm

TOXIC EFFECTS :

Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Sense Organs and Special Senses (Eye) - conjunctive irritation Lungs, Thorax, or Respiration - other changes

REFERENCE :

JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 25,282,1943

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

10768 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes Liver - other changes

REFERENCE :

ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 1,196,1992

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

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

REFERENCE :

NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,7,1974

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

6 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 25(11),57,1981

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

6 gm/m3/2H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 32,1241,1981

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1230 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,2,1961

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Mammal - cat

DOSE/DURATION :

68 gm/m3/72M

TOXIC EFFECTS :

Behavioral - general anesthetic Gastrointestinal - changes in structure or function of salivary glands Lungs, Thorax, or Respiration - emphysema

REFERENCE :

AGGHAR Archiv fuer Gewerbepathologie und Gewerbehygiene. (Berlin, Ger.) V.1-18, 1930-61. For publisher information, see IAEHDW. Volume(issue)/page/year: 5,1,1933

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

3200 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: -,28,1982

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

>17600 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015) Volume(issue)/page/year: 1,7,1974

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

4700 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: -,28,1982

TYPE OF TEST :

LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

67 gm/m3/4H

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - antipsychotic

REFERENCE :

FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,515,1979

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

1500 mg/kg

TOXIC EFFECTS :

Liver - fatty liver degeneration Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases

REFERENCE :

AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 35,21,1974

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intramuscular

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

2648 mg/kg

TOXIC EFFECTS :

Behavioral - muscle weakness

REFERENCE :

JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 76,189,1942

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

4300 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 32(10),25,1988

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

40 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 32(10),25,1988

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

1592 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 51(5),61,1986 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1500 ppm/6H/13W-I

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :

TOXID9 Toxicologist. (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway, Akron, OH 44311) V.1- 1981- Volume(issue)/page/year: 36(1,pt2),61,1997 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

DOSE :

1500 ppm/7H

SEX/DURATION :

female 7-16 day(s) after conception

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB83-258038 *** REVIEWS *** ACGIH TLV-Not classifiable as a human carcinogen 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-STEL 950 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 ACGIH TLV-TWA 713 mg/m3 (150 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 TOXICOLOGY REVIEW AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 21,28,1960 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 150 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: 3,30,1971 OSHA PEL (Gen Indu):8H TWA 150 ppm (710 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 150 ppm (710 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 150 ppm (710 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 150 ppm (710 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 150 ppm (710 mg/m3);STEL 200 ppm (950 mg/m3) JAN 1993 OEL-AUSTRIA:TWA 200 ppm (950 mg/m3) JAN 1993 OEL-BELGIUM:TWA 150 ppm (713 mg/m3);STEL 200 ppm (950 mg/m3) JAN 1993 OEL-DENMARK:TWA 150 ppm (710 mg/m3) JAN 1993 OEL-FINLAND:TWA 150 ppm (710 mg/m3);STEL 200 ppm (950 mg/m3) JAN 1993 OEL-FRANCE:TWA 150 ppm (710 mg/m3);STEL 200 ppm (940 mg/m3) JAN 1993 OEL-GERMANY:TWA 200 ppm (950 mg/m3) JAN 1993 OEL-HUNGARY:TWA 200 mg/m3;STEL 600 mg/m3 JAN 1993 OEL-INDIA:TWA 150 ppm (710 mg/m3);STEL 200 ppm (950 mg/m3) JAN 1993 OEL-JAPAN:TWA 200 ppm (950 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 150 ppm (710 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 150 ppm (710 mg/m3) JAN 1993 OEL-POLAND:TWA 200 mg/m3 JAN 1993 OEL-RUSSIA:TWA 200 ppm;STEL 200 mg/m3 JAN 1993 OEL-SWEDEN:TWA 100 ppm (500 mg/m3);STEL 150 ppm (700 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 150 ppm (700 mg/m3);STEL 300 ppm JAN 1993 OEL-TURKEY:TWA 150 ppm (710 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 150 ppm (710 mg/m3);STEL 200 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 n-BUTYL ACETATE-air:10H TWA 150 ppm;STEL 200 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 - 14380 No. of Facilities: 52224 (estimated) No. of Industries: 280 No. of Occupations: 153 No. of Employees: 527992 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 14380 No. of Facilities: 55011 (estimated) No. of Industries: 271 No. of Occupations: 164 No. of Employees: 822099 (estimated) No. of Female Employees: 143606 (estimated)

毒理学数据：

1.急性毒性^[16]

LD50：10768mg/kg（大鼠经口）；＞17600mg/kg（兔经皮）

LC50：390ppm（大鼠吸入，4h）

2.刺激性^[17]

家兔经皮：500mg（24h），中度刺激。

家兔经眼：20mg，重度刺激。

3.亚急性与慢性毒性^[18] 猫吸入4200ppm，每天6h，共6d，衰弱，体重减轻，轻度血液变化。

生态数据：

1.生态毒性^[19]

LC50：100mg/L（96h）（蓝鳃太阳鱼）

EC50：18mg/L（96h）（黑头呆鱼）

TLm：44mg/L（48h）（水蚤）

IC50：280mg/L（72h）（藻类）

2.生物降解性 暂无资料

3.非生物降解性^[20] 空气中，当羟基自由基浓度为5.00×10⁵个/cm³时，降解半衰期为4d（理论）。

在20℃，当pH值为7，8，9时，水解半衰期分别为3.1a，114d，11d（理论）。

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：31.62

2、摩尔体积（cm³/mol）：131.0

3、等张比容（90.2K）：295.5

4、表面张力（dyne/cm）：25.8

5、极化率（10^-24cm³）：12.53

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:2

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:8

8.表面电荷:0

9.复杂度:68.9

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