乙酸丁酯

  • 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

乙酸丁酯 基本信息

中文名称:
乙酸丁酯 
中文别名:
乙酸丁酯;
丁基醋酸;
乙酸正丁酯;
醋酸正丁酯 
英文名称:
butyl acetate
英文别名:
butyl acetate;
Butyl Acetate;
Butyl ethanoate;
butanol acetate;
acetic acid n-butyl ester;
Butyl acetate;
Butylacetat;
Acetate de butyle;
n-Butyl ethanoate;
Acetic Acid Butyl Ester;
N-BUTYL ACETATE;
Acetic acid,butyl ester 
CAS No.:
123-86-4
分 子 式:

C6H12O2

分 子 量:
116.16
精确分子量:
116.08400
PSA:
26.30000
MDL:
MFCD00009445
EINECS:
204-658-1
BRN:
1741921
InChI:
InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
危险品标志:

 

风险术语:

R10;R66;R67

安全术语:

S25

分子结构式:
SDS:
查看

乙酸丁酯 制备方法及用途

制备方法

1.由乙酸与正丁醇在硫酸存在下酯化而得。将丁醇、乙酸和硫酸按比例投入酯化釜,在120℃进行酯化,经回流脱水,控制酯化时的酸值在0.5以下,所得粗酯经中和后进入蒸馏釜,经蒸馏、冷凝、分离进行回流脱水,回收醇酯,最后在126℃以下蒸馏而得产品。生产工艺有连续法及间歇法,视生产规模不同而定。原料消耗定额:乙酸(98%)540kg/t、正丁醇650kg/t。近年来,开发应用固体酸、杂多酸等代替硫酸催化剂,以减轻设备腐蚀的科研报导日见增多,但尚未见成功用于工业生产的报道。 2.由乙酸与正丁醇在硫酸存在下酯化而得。精制方法:一般含有游离的乙酸和丁醇。若原料是由发酵法制得者尚含有少量的乙酸异丁酯、异丁醇、乙酸戊酯、乙酸己酯等。精制时用碳酸氢钠或碳酸钠饱和溶液洗涤,再用氯化钠饱和溶液洗涤,经无水碳酸钾、硫酸钠或硫酸镁干燥后精馏。残存的水和醇与酯形成共沸混合物变成初馏分除去。其他的精制方法有先蒸馏,再分批加入少量高锰酸钾回流,直到高锰酸钾的紫色不消失为止,无水硫酸钙干燥、过滤、再精馏。 3.将工业乙酸丁酯进行精馏、超净过滤、超净分装即可。 4.制法: 于装有回流冷凝器的反应瓶中,加入98%的甲酸61g(1.33mol),无水乙醇(2)31g(0.67mol),一粒沸石,加热回流反应24h。改为蒸馏装置进行蒸馏,收集62℃以下的馏分,溜出液用氯化钠饱和,再依次用饱和碳酸氢钠、饱和氯化钠溶液洗涤。无水硫酸钠干燥,分馏,收集53~54℃的馏分,得甲酸丁酯(1)36g,收率72%。

合成制备方法

1.由乙酸与正丁醇在硫酸存在下酯化而得。将丁醇、乙酸和硫酸按比例投入酯化釜,在120℃进行酯化,经回流脱水,控制酯化时的酸值在0.5以下,所得粗酯经中和后进入蒸馏釜,经蒸馏、冷凝、分离进行回流脱水,回收醇酯,最后在126℃以下蒸馏而得产品。生产工艺有连续法及间歇法,视生产规模不同而定。原料消耗定额:乙酸(98%)540kg/t、正丁醇650kg/t。近年来,开发应用固体酸、杂多酸等代替硫酸催化剂,以减轻设备腐蚀的科研报导日见增多,但尚未见成功用于工业生产的报道。

2.由乙酸与正丁醇在硫酸存在下酯化而得。精制方法:一般含有游离的乙酸和丁醇。若原料是由发酵法制得者尚含有少量的乙酸异丁酯、异丁醇、乙酸戊酯、乙酸己酯等。精制时用碳酸氢钠或碳酸钠饱和溶液洗涤,再用氯化钠饱和溶液洗涤,经无水碳酸钾、硫酸钠或硫酸镁干燥后精馏。残存的水和醇与酯形成共沸混合物变成初馏分除去。其他的精制方法有先蒸馏,再分批加入少量高锰酸钾回流,直到高锰酸钾的紫色不消失为止,无水硫酸钙干燥、过滤、再精馏。

3.将工业乙酸丁酯进行精馏、超净过滤、超净分装即可。

4.制法:

于装有回流冷凝器的反应瓶中,加入98%的甲酸61g(1.33mol),无水乙醇(2)31g(0.67mol),一粒沸石,加热回流反应24h。改为蒸馏装置进行蒸馏,收集62℃以下的馏分,溜出液用氯化钠饱和,再依次用饱和碳酸氢钠、饱和氯化钠溶液洗涤。无水硫酸钠干燥,分馏,收集53~54℃的馏分,得甲酸丁酯(1)36g,收率72%。[26]

用途简介

醋酸丁酯又称乙酸丁酯,是一种无色、易燃、具有水果香味的液体。有毒,对眼及上呼吸道均有强烈的刺激作用,有麻醉作用。

用途

1.优良的有机溶剂,对醋酸丁酸纤维素、乙基纤维素、氯化橡胶、聚苯乙烯、甲基丙烯酸树脂以及许多天然树脂如栲胶、马尼拉胶、达玛树脂等均有良好的溶解性能。广泛应用于硝化纤维清漆中,在人造革、织物及塑料加工过程中用作溶剂,在各种石油加工和制药过程中用作萃取剂,也用于香料复配及杏、香蕉、梨、菠萝等各种香味剂的成分。检定金属铊、锡和钨。测定钼和铼。抗生素萃取剂。

2.分析试剂及溶剂,用于铊、锡、钨、钼和铼等的测定。也用作塑料、喷漆、硝化棉、人造皮革等的溶剂。

3.化妆品溶剂。主要用作指甲油等化妆品的中沸点主溶剂,以溶解硝化纤维素、丙烯酸酯树脂、醇酸树脂等皮膜形成剂,经常与醋酸乙酯混合使用,添加量约为20%~25%。另外,也用于配制指甲油脱膜剂,添加量约为30%。

4.用作喷漆、人造革、胶片、硝化棉、树胶等溶剂及用于调制香料和药物。[25]

乙酸丁酯 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

乙酸丁酯 安全信息

包装等级:
III
风险类别:
3
海关代码:
2915330000
WGK_Germany:
1
德国有关水污染物质的分类清单
危险类别码:
R10;R66;R67
安全说明:
S25
RTECS号:
AF7350000
安全标志:
S25:避免接触眼睛。

乙酸丁酯 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 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 - 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)。

乙酸丁酯 MSDS

第一部分:化学品名称

乙酸丁酯 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

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