醋酸异丙酯

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

醋酸异丙酯 基本信息

中文名称:
醋酸异丙酯 
中文别名:
醋酸异丙酯;
乙酸-2-甲基乙酯;
1-甲基乙基乙酸酯;
异丙基醋酸酯;
乙酸异丙酯;
醋酸异丙脂 
英文名称:
Isopropyl acetate
英文别名:
Isopropyl acetate;
CH3COOCH(CH3)2;
Acetic acid isopropyl ester IPrOAc;
Ispropyl acetate;
Acetic Acid Isopropyl Ester;
2-Propyl acetate;
i-propyl acetate;
2-acetoxypropane;
Isopropylacetaat;
FEMA 2926;
isopropanol acetate;
IPAC;
iso-propyl acetate;
Isopropylacetat;
paracetat 
CAS No.:
108-21-4
分 子 式:
C5H10O2
分 子 量:
102.13
精确分子量:
102.06800
PSA:
26.30000
MDL:
MFCD00008877
EINECS:
203-561-1
BRN:
1740761
InChI:
InChI=1/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3
危险品标志:
F:Highly flammable
Xi:Irritant
风险术语:
R11; R36;
安全术语:
S16; S26; S29;
SDS:
查看

醋酸异丙酯 制备方法及用途

制备方法

将醋酸、异丙醇和浓硫酸加入搪瓷釜,搅拌下加热回流10h以上,降温后用碳酸氢钠或碳酸钠饱和溶液中和至pH7~8,用饱和食盐水溶液洗涤,再用水洗涤,静置分去水层后,用无水硫酸钠或硫酸镁进行干燥,过滤后加入精馏塔进行精馏,收集85~95℃的馏分,即为成品。精制方法:常含有水、乙酸和异丙醇等杂质。精制时于100mL酯中加入50g碳酸钾,充分摇动以除去酸。再用浓的氯化钙溶液洗涤除去醇,无水氯化钙干燥1昼夜后蒸馏。

合成制备方法

将醋酸、异丙醇和浓硫酸加入搪瓷釜,搅拌下加热回流10h以上,降温后用碳酸氢钠或碳酸钠饱和溶液中和至pH7~8,用饱和食盐水溶液洗涤,再用水洗涤,静置分去水层后,用无水硫酸钠或硫酸镁进行干燥,过滤后加入精馏塔进行精馏,收集85~95℃的馏分,即为成品。

精制方法:常含有水、乙酸和异丙醇等杂质。精制时于100mL酯中加入50g碳酸钾,充分摇动以除去酸。再用浓的氯化钙溶液洗涤除去醇,无水氯化钙干燥1昼夜后蒸馏。

用途简介

主要用作涂料、印刷油墨等的溶剂,也是工业上常用的脱水剂,药物生产中的萃取剂及香料组分。用作医药品的萃取剂,用于制造香精,也用作涂料等的溶剂和试剂等。

用途

1.主要用作涂料、印刷油墨等的溶剂,也是工业上常用的脱水剂,药物生产中的萃取剂及香料组分。

2.用作医药品的萃取剂,用于制造香精,也用作涂料等的溶剂和试剂等。[26]

醋酸异丙酯 物化性质

外观与性状:
无色液体带有一种水果的气味
密度:
0.873
熔点:
-73 °C
沸点:
88.8 °C
闪点:
62 °F
水溶解性:
2.90 g/100 mL
折射率:
n20/D 1.377(lit.)
蒸汽压:
60.7mmHg at 25°C
蒸汽密度:
3.5 (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:和乙酸丙酯相似,有水存在时逐渐水解生成乙酸和异丙醇。进行光氯化反应时,生成氯代异丙基乙酸酯。其中1-氯取代物和2-氯取代物产率相等。在三氯化铝催化下与苯进行的Friedel-Crafts反应和乙酸丙酯相似。加热至350℃时裂解生成乙酸和丙烯。

2.稳定性[22]  稳定

3.禁配物[23]  强氧化剂、碱类、酸类

4.聚合危害[24]  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(℃):-73[2]

3.沸点(℃):88.4[3]

4.相对密度(水=1):0.87[4]

5.相对蒸气密度(空气=1):3.52[5]

6.饱和蒸气压(kPa):5.8(20℃)[6]

7.燃烧热(kJ/mol):-2236.6[7]

8.临界温度(℃):265[8]

9.临界压力(MPa):3.65[9]

10.辛醇/水分配系数:1.02[10]

11.闪点(℃):2(CC)[11]

12.引燃温度(℃):460[12]

13.爆炸上限(%):7.8[13]

14.爆炸下限(%):1.8[14]

15.溶解性:微溶于水,可混溶于乙醇、乙醚、酯类等多数有机溶剂。[15]

16.黏度(mPa·s,20ºC):0.569

17.闪点(ºC,闭口):4.44

18.闪点(ºC,开口):11

19.燃点(ºC):460

20.蒸发热(KJ/mol,b.p.):33.08

21.生成热(KJ/mol):484.83

22.燃烧热(KJ/mol):2799.7

23.比热容(KJ/(kg·K),定压):2.18

24.体膨胀系数(K-1):0.00132

25.临界密度(g·cm-3):0.297

26.临界体积(cm3·mol-1):344

27.临界压缩因子:0.258

28.偏心因子:0.355

29.溶度参数(J·cm-3)0.5:17.120

30.van der Waals面积(cm2·mol-1):9.130×109

31.van der Waals体积(cm3·mol-1):62.990

32.气相标准燃烧热(焓)(kJ·mol-1):-2907.04

33.气相标准声称热(焓)( kJ·mol-1) :-489.65

34.液相标准燃烧热(焓)(kJ·mol-1):-2869.80

35.液相标准声称热(焓)( kJ·mol-1):-526.85

36.液相标准热熔(J·mol-1·K-1):196.6

醋酸异丙酯 安全信息

包装等级:
II
风险类别:
3
海关代码:
2915390090
WGK_Germany:
1
德国有关水污染物质的分类清单
危险类别码:
R11;R36/37/38
安全说明:
S16-S26-S36
RTECS号:
AI4930000
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。
S36:穿戴合适的防护服装。
危险标志:
F:Flammable;Xi:Irritant;

醋酸异丙酯 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AI4930000
CHEMICAL NAME :
Acetic acid, isopropyl ester
CAS REGISTRY NUMBER :
108-21-4
BEILSTEIN REFERENCE NO. :
1740761
LAST UPDATED :
199806
DATA ITEMS CITED :
36
MOLECULAR FORMULA :
C5-H10-O2
MOLECULAR WEIGHT :
102.15
WISWESSER LINE NOTATION :
1Y1&OV1

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: -,354,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Human
DOSE/DURATION :
200 ppm
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes
REFERENCE :
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
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Human
DOSE/DURATION :
200 ppm
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - conjunctive irritation
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 :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6750 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: 3/24/1970
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50600 mg/m3/8H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 20,364,1959
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>174 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JSGRA2 Journal of Surgical Research. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1961- Volume(issue)/page/year: 53,572,1992
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
174 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JSGRA2 Journal of Surgical Research. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1961- Volume(issue)/page/year: 53,572,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
6946 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IMSUAI Industrial Medicine and Surgery. (Northbrook, IL) V.18-42, 1949-73. For publisher information, see IOHSA5. Volume(issue)/page/year: 41,31,1972
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 :
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: 10,61,1954 *** REVIEWS *** ACGIH TLV-STEL 1290 mg/m3 (310 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 1040 mg/m3 (250 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 250 ppm (950 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: 3,141,1971 OSHA PEL (Gen Indu):8H TWA 250 ppm (950 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 250 ppm (950 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 250 ppm (950 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 250 ppm (950 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 200 ppm (950 mg/m3);STEL 310 ppm (1185 mg/m3) JAN 1993 OEL-BELGIUM:TWA 250 ppm (1040 mg/m3);STEL 310 ppm (1290 mg/m3) JAN 1993 OEL-DENMARK:TWA 200 ppm (840 mg/m3) JAN 1993 OEL-FRANCE:TWA 250 ppm (950 mg/m3);STEL 300 ppm (1140 mg/m3) JAN 1993 OEL-GERMANY:TWA 200 ppm (840 mg/m3) JAN 1993 OEL-HUNGARY:TWA 400 mg/m3;STEL 800 mg/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 250 ppm (950 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 250 ppm (950 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 200 ppm (840 mg/m3);STEL 400 ppm JAN 1993 OEL-UNITED KINGDOM:TWA 250 ppm (950 mg/m3);STEL 310 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 OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 40984 No. of Facilities: 10160 (estimated) No. of Industries: 103 No. of Occupations: 67 No. of Employees: 84001 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 40984 No. of Facilities: 8643 (estimated) No. of Industries: 85 No. of Occupations: 68 No. of Employees: 159819 (estimated) No. of Female Employees: 50913 (estimated)
毒理学数据:

1.急性毒性[16]

LD50:6750mg/kg(大鼠经口);>20ml(17400mg)/kg(兔经皮)

LC50:50600mg/m3(大鼠吸入,8h)

2.刺激性[17]  家兔经皮:500mg(24h),轻度刺激。

生态数据:

1.生态毒性[18]  IC50:165~1400mg/L(72h)(藻类)

2.生物降解性[19]  筛选试验,使用稳定的下水道污泥,5,10,40d后,分别降解12.7%,40%,49.1%。

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4.7h(理论)。

当pH值为7,8时,水解半衰期分别为2.4a,88d(理论)。

4.其他有害作用[21]  该物质对环境有危害,对水体应给予特别注意。

醋酸异丙酯 MSDS

第一部分:化学品名称

醋酸异丙酯 海关数据

中国海关编码:2915390090

概述:
2915390090. 其他乙酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%

醋酸异丙酯 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:26.94

2、摩尔体积(cm3/mol):114.9

3、等张比容(90.2K):253.1

4、表面张力(dyne/cm):23.5

5、介电常数:

6、偶极距(10-24cm3):

7、极化率:10.68

计算化学数据

1.疏水参数计算参考值(XlogP):0.9

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:2

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:7

8.表面电荷:0

9.复杂度:66.5

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

醋酸异丙酯 上游产品

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