4-甲基-2-戊酮

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

4-甲基-2-戊酮 基本信息

中文名称:
4-甲基-2-戊酮 
中文别名:
4-甲基-2-戊酮;
甲基异丁基甲酮 
英文名称:
4-methyl-2-pentanone
英文别名:
2-Pentanone, 4-methyl-;
4-Methyl-2-pentanone;
Isobutyl methyl ketone,Isopropylacetone,Methyl isobutyl ketone;
4-Methyl-2-pe;
Methyl Isobutyl Ketone;
4-methylpentan-2-one 
CAS No.:
108-10-1
分 子 式:

C6H12O

分 子 量:
100.16
精确分子量:
100.08882
PSA:
17.1 A2
MDL:
MFCD00008938
EINECS:
203-550-1
BRN:
605399
InChI:
InChI=1/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
危险品标志:

FlammableFHarmfulXn

风险术语:

R11;R20;R36/37

安全术语:

S16;S29;S9

分子结构式:
SDS:
查看

4-甲基-2-戊酮 制备方法及用途

制备方法

制备方法有异丙醇法和丙酮法。 (1)异丙醇法 以异丙醇为原料,在常压、温度180~220℃通过铝铜催化剂,使异丙醇脱氢成丙酮,再与异丙醇缩合脱水而得产品。 (2)丙酮法 将丙酮加热,蒸气通过氢氧化钠催化剂,在常压下反应得到双丙醇酮。双丙醇酮在磷酸催化剂存在下进行脱水反应得异丙烯丙酮,将异丙烯丙酮在铜催化剂存在下催化加氢,温度170~200℃,得产品。 精制方法:4-甲基-2-戊酮是由亚异丙基丙酮溶液加氢制取的,因而含有水、亚异丙基丙酮、4-甲基-2-戊醇、酸性物质等杂质。精制方法可参照丁酮的精制法。也可以用少量高锰酸钾回流后,用碳酸氢钠水溶液洗涤,无水硫酸钙干燥,然后蒸馏。酸性杂质可通过一个含有少量活性氧化铝的柱子除去。 (3) 将丙酮加热气化,在氢氧化钠催化作用下,于20℃、常压下进行反应,当温度升至 , 反应结束,得到二丙酮醇,在磷酸催化作用下,二丙酮醇脱水,得亚异丙基丙酮,气化后,与氢气混合进入反应器,在铜催化下,于170~200℃、0.3~1MPa下进行加氢反应,然后蒸馏,收集115.5-116.5℃馏分 ( 常压) ,即为成品,多用2666~6665Pa减压蒸馏获得成品。

合成制备方法

制备方法有异丙醇法和丙酮法。

(1)异丙醇法   以异丙醇为原料,在常压、温度180~220℃通过铝铜催化剂,使异丙醇脱氢成丙酮,再与异丙醇缩合脱水而得产品。

(2)丙酮法   将丙酮加热,蒸气通过氢氧化钠催化剂,在常压下反应得到双丙醇酮。双丙醇酮在磷酸催化剂存在下进行脱水反应得异丙烯丙酮,将异丙烯丙酮在铜催化剂存在下催化加氢,温度170~200℃,得产品。

精制方法:4-甲基-2-戊酮是由亚异丙基丙酮溶液加氢制取的,因而含有水、亚异丙基丙酮、4-甲基-2-戊醇、酸性物质等杂质。精制方法可参照丁酮的精制法。也可以用少量高锰酸钾回流后,用碳酸氢钠水溶液洗涤,无水硫酸钙干燥,然后蒸馏。酸性杂质可通过一个含有少量活性氧化铝的柱子除去。

(3) 将丙酮加热气化,在氢氧化钠催化作用下,于20℃、常压下进行反应,当温度升至 ,

反应结束,得到二丙酮醇,在磷酸催化作用下,二丙酮醇脱水,得亚异丙基丙酮,气化后,与氢气混合进入反应器,在铜催化下,于170~200℃、0.3~1MPa下进行加氢反应,然后蒸馏,收集115.5-116.5℃馏分 ( 常压) ,即为成品,多用2666~6665Pa减压蒸馏获得成品。

用途简介

橡胶防老剂4020、涂料溶剂(主要用作涂料及油墨溶剂)和多种农药和医药的萃取剂和稀释剂。

用途

1.本品是性能优良的中沸点溶剂和化工中间体,由于其化学性能稳定,可用作各种工业涂料的溶剂,也可用作生产汽车专用高级油漆、油墨、录音带、录像带等的溶剂,还用作DDT、2,4-D、除虫菊酯、青霉素、四环素、黏合剂、橡胶胶水的溶剂。也用作选矿剂、油脂脱蜡剂以及彩色影片的成色剂。本品是一些无机盐有效的分离剂,可从铀中分出钚,从钽中分出铌,从铪中分出锆等。对有机金属化合物也有优良的溶解能力。本品的过氧化物是聚酯类树脂聚合反应中重要的引发剂。本品也用于有机合成及原子吸收分光光度分析用溶剂。

2.主要作溶剂使用,为稳定的中沸点溶剂。除大量用作涂料、脱漆剂、各种合成树脂的溶剂外,还用作胶黏剂、DDT、2,4-D、除虫菊酯、青霉素、四环素、橡胶胶水、原子吸收分光光度分析的溶剂。对有机金属化合物也有优良的溶解能力。也用作选矿剂、油脂脱蜡剂以及彩色影片的成色剂。还是一些无机盐有效的分离剂,可从铀中分出钚,从钽中分出铌,从铪中分出锆等。MIBK的过氧化物是聚酯类树脂聚合反应中重要的引发剂。国内主要用在一些特种涂料和某些有机合成上(如合成一些表面活性剂、加氢生产MIBC、合成橡胶抗氧剂等),大多数的应用还未开发出来,特别在涂料和胶黏剂市场上,尚有较大的市场潜力。需要特别指出的是MIBK在一些应用领域具有不可替代性。

3.用作分析试剂,如色谱分析标准物质。还用作溶剂、萃取剂。

4.化妆品中用于指甲油的制造。在指甲油中作中沸点溶剂(100~140℃),赋予指甲油以铺展性,抑制模糊感。

5.用作喷漆、硝基纤维、某些纤维醚、樟脑、油脂、天然和合成橡胶的溶剂。[25]

4-甲基-2-戊酮 物化性质

外观与性状:
透明液体
密度:
0.800±0.06 g/cm3
熔点:
-85 °C
沸点:
116.5±8.0 °C
闪点:
13.3±0.0 °C
水溶解性:
Soluble (12 g/L)
折射率:
n20/D 1.395(lit.)
蒸汽压:
18.2mmHg at 25°C
蒸汽密度:
18.2 Torr
存储条件/存储方法:
库房通风低温干燥,轻装轻卸、与氧化剂和酸类分开存放
稳定性相关:

1.能与乙醇、乙醚、苯等大多数有机溶剂和动植物油相混溶。是硝酸纤维素、聚氯乙烯、聚乙酸乙烯酯、聚苯乙烯、环氧树脂、天然及合成橡胶、DDT、2,4-D以及许多有机物的优良溶剂。能配制成低黏度溶液,防止凝胶化。

2.化学性质:分子中羰基及邻接的氢原子富有化学反应性,化学性质与丁酮相似。例如用铬酸等强氧化剂氧化时,生成乙酸、异丁酸、异戊酸、二氧化碳和水。催化加氢得到4-甲基-2-戊醇。与亚硫酸氢钠生成加成产物。在碱性催化剂存在下,与其他羰基化合物发生缩合反应。与肼缩合生成腙,与乙酸乙酯发生Claisen缩合反应。

3.稳定性[21]  稳定

4.禁配物[22]  强氧化剂、强还原剂、强碱

5.聚合危害[23]  不聚合

其它信息:

1.性状:无色透明液体,有令人愉快的酮样香味。[1]

2.熔点(℃):-85[2]

3.沸点(℃):115.8[3]

4.相对密度(水=1):0.80(25℃)[4]

5.相对蒸气密度(空气=1):3.5[5]

6.饱和蒸气压(kPa):2.13(20℃)[6]

7.燃烧热(kJ/mol):-3740[7]

8.临界温度(℃):298.2[8]

9.临界压力(MPa):3.27[9]

10.辛醇/水分配系数:1.31[10]

11.闪点(℃):16(TCC);23.9(OC);23(CC)[11]

12.引燃温度(℃):449[12]

13.爆炸上限(%):7.5[13]

14.爆炸下限(%):1.4[14]

15.溶解性:微溶于水,易溶于多数有机溶剂。[15]

16.折射率(n20ºC):1.3957

17.折射率(n25ºC):1.3933

18.黏度(mPa·s,25ºC):0.542

19.蒸发热(KJ/mol):36.47

20.比热容(KJ/(kg·K),20ºC,定压):1.93

21.电导率(S/m,35ºC):<5.2×10-8

22.热导率(W/(m·K)):0.1386

23.体膨胀系数(K-1,20~30ºC):0.00116

24.体膨胀系数(K-1,10~30ºC):0.00112

25.偏心因子:0.389

26.溶度参数(J·cm-3)0.5:17.825

27.van der Waals面积(cm2·mol-1):9.880×109

28.van der Waals体积(cm3·mol-1):69.720

29.液相标准热熔(J·mol-1·K-1):212.4

30.气相标准燃烧热(焓)(kJ·mol-1):-3783.57

31.气相标准声称热(焓)( kJ·mol-1) :-292.46

4-甲基-2-戊酮 安全信息

包装等级:
II
风险类别:
3
海关代码:
2914130000
WGK_Germany:
1
德国有关水污染物质的分类清单
危险类别码:
R11;R20;R36/37;R66
安全说明:
S9-S16-S29-S45-S36/37-S7
RTECS号:
SA9275000
安全标志:
S7:保持容器紧密封闭。
S9:保持容器在一个有良好通风放的场所。
S16:远离火源。
S23:不要吸入蒸汽。
S29:不要将残余物倾入排水口。
S33:采取防护措施防止静电发生。
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)。
:
危险标志:
F:Flammable

4-甲基-2-戊酮 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SA9275000
CHEMICAL NAME :
2-Pentanone, 4-methyl-
CAS REGISTRY NUMBER :
108-10-1
BEILSTEIN REFERENCE NO. :
0605399
LAST UPDATED :
199712
DATA ITEMS CITED :
43
MOLECULAR FORMULA :
C6-H12-O
MOLECULAR WEIGHT :
100.18
WISWESSER LINE NOTATION :
1Y1&1V1

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: 28,262,1946
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,284,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 4/25/1958
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,284,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2080 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 4/25/1958
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4000 ppm/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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: 4,119,1951
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4748,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2671 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 30,13,1986
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
23300 mg/m3
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: 17(11),52,1973
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
268 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: -,7,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>20 mL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 4/25/1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4748,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
38MKAJ "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2nd rev. ed. in 1985. Volume(issue)/page/year: 2C,4748,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
1396 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 :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
9350 mg/kg/24D-I
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Related to Chronic Data - death
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: 17(11),52,1973
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1996 ppm/6H/11D-I
TOXIC EFFECTS :
Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 9,380,1987
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1002 ppm/6H/14W-I
TOXIC EFFECTS :
Liver - changes in liver weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Kidney, Ureter, Bladder - other changes in urine composition
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 9,380,1987
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
35700 mg/kg/17W-I
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Nutritional and Gross Metabolic - body temperature decrease Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other oxidoreductases
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 53(10),79,1988
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1996 ppm/6H/11D-I
TOXIC EFFECTS :
Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 9,380,1987
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1002 ppm/6H/14W-I
TOXIC EFFECTS :
Liver - changes in liver weight
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 9,380,1987 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
DOSE :
300 ppm/6H
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 8,310,1987
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
DOSE :
3000 ppm/6H
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 8,310,1987
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
DOSE :
3000 ppm/6H
SEX/DURATION :
female 6-15 day(s) after conception
REFERENCE :
FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 8,310,1987 *** REVIEWS *** ACGIH TLV-STEL 307 mg/m3 (75 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 205 mg/m3 (50 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 *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 MSHA STANDARD-air:TWA 100 ppm (410 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: 3,126,1971 OSHA PEL (Gen Indu):8H TWA 100 ppm (410 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 100 ppm (410 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 100 ppm (410 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 100 ppm (410 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO METHYL ISOBUTYL KETONE-air:10H TWA 50 ppm;STEL 75 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 - 37510 No. of Facilities: 42735 (estimated) No. of Industries: 258 No. of Occupations: 149 No. of Employees: 435266 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 37510 No. of Facilities: 47027 (estimated) No. of Industries: 253 No. of Occupations: 150 No. of Employees: 612921 (estimated) No. of Female Employees: 110397 (estimated)
毒理学数据:

1、刺激性:家兔经眼:40mg,重度刺激。家兔经皮:500mg/24小时,中度刺激。

2、急性毒性:大鼠经口LD50:2080mg/kg;大鼠吸入LD50:32720mg/m3/4H;

3、本品有强的局部刺激性和毒性。毒性和局部刺激性都较强,浓度为409mg/m3时即能引起头痛、呕吐和不适。工作场所最高容许浓度409mg/m3。

4.急性毒性[16]

LD50:2080mg/kg(大鼠经口)

LC50:100g/m3(大鼠吸入);23300mg/m3(小鼠吸入)

5.刺激性[17]

家兔经皮:500mg(24h),中度刺激。

家兔经眼:40mg,重度刺激。

生态数据:

1.生态毒性[18]

LC50:460mg/L(96h)(金鱼);505mg/L(96h)(黑头呆鱼)

EC50:4280mg/L(24h)(水蚤);79.6mg/L(5min)(发光菌,Microtox测试);400mg/L(96h)(绿藻)

2.生物降解性[19]

好氧生物降解(h):24~672

厌氧生物降解(h):22~96

3.非生物降解性[20]

光解最大光吸收波长范围(nm):232~283

空气中光氧化半衰期(h):4.6~45.5

4-甲基-2-戊酮 MSDS

第一部分:化学品名称

4-甲基-2-戊酮 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:29.83

2、摩尔体积(cm3/mol):125.0

3、等张比容(90.2K):273.3

4、表面张力(dyne/cm):22.8

5、极化率:11.82

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:7

8.表面电荷:0

9.复杂度:64.6

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

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