乙酸甲酯

  • 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

乙酸甲酯 基本信息

中文名称:
乙酸甲酯 
中文别名:
乙酸甲酯;
醋酸甲酯 
英文名称:
Methyl acetate
英文别名:
Acetic acid, methyl ester;
methyl acetate;
Methylacetaat;
Methylacetat;
Tereton;
1-yl-acetic acid,methyl ester;
Methyl acetate;
methyl ortho-acetate;
Acetic acid,methyl ester;
Devoton;
acetic acid trimethyl ester;
Methyl ethanoate;
Methyl acetic ester 
CAS No.:
79-20-9
分 子 式:

C3H6O2

分 子 量:
74.08
精确分子量:
74.03678
PSA:
26.3 A2
MDL:
MFCD00008711
EINECS:
201-185-2
BRN:
1736662
InChI:
InChI=1/C3H6O2/c1-3(4)5-2/h1-2H3
危险品标志:


HarmfulXnFlammableF

风险术语:

R11;R36

安全术语:

S16;S26;S29

分子结构式:
SDS:
查看

乙酸甲酯 制备方法及用途

制备方法

1.醋酸与甲醇以硫酸为催化剂直接进行酯化反应生成醋酸甲酯粗制品,再用氯化钙脱水,碳酸钠中和,分馏得成品。 精制方法:由于乙酸甲酯容易水解,主要的杂质是游离的乙酸和甲醇。甲醇的存在可从其在水中的溶解度看出。常温下乙酸甲酯在水中溶解24%。若有1%甲醇存在时则可与水混溶。精制时,在1000mL乙酸甲酯中加入85mL乙酸酐,回流6小时后分馏。酸性杂质可用无水碳酸钾一起振摇,再蒸馏除去。甲醇也可用乙酰氯处理除去。高纯度的乙酸甲酯可用浓食盐水洗涤,氧化钙或硫酸镁干燥后蒸馏精制。 2.在搪瓷罐中加入乙酸、甲醇、硫酸回流8h进行反应,然后将粗品蒸出,先用固体氯化钙除去大部分水,再用固体碳酸钠除去酸性,至中性用无水碳酸钾干燥,然后分馏,收集55~58℃馏分,即为成品。

合成制备方法

1.醋酸与甲醇以硫酸为催化剂直接进行酯化反应生成醋酸甲酯粗制品,再用氯化钙脱水,碳酸钠中和,分馏得成品。

精制方法:由于乙酸甲酯容易水解,主要的杂质是游离的乙酸和甲醇。甲醇的存在可从其在水中的溶解度看出。常温下乙酸甲酯在水中溶解24%。若有1%甲醇存在时则可与水混溶。精制时,在1000mL乙酸甲酯中加入85mL乙酸酐,回流6小时后分馏。酸性杂质可用无水碳酸钾一起振摇,再蒸馏除去。甲醇也可用乙酰氯处理除去。高纯度的乙酸甲酯可用浓食盐水洗涤,氧化钙或硫酸镁干燥后蒸馏精制。

2.在搪瓷罐中加入乙酸、甲醇、硫酸回流8h进行反应,然后将粗品蒸出,先用固体氯化钙除去大部分水,再用固体碳酸钠除去酸性,至中性用无水碳酸钾干燥,然后分馏,收集55~58℃馏分,即为成品。

用途简介

用作有机溶剂、喷漆人造革及香料等的原料。

用途

1.硝基纤维素和醋酸纤维素的快干性溶剂,用于油漆涂料。

2.用于人造革及香料的制造以及用作油脂的萃取剂。还是制造染料和药物的原料。

3.用作香料,也是硝酸纤维素和醋酸纤维素的快干性溶剂、油脂的萃取剂等。

4.可用于日化香精配方中,但最重要的用于食用香精配方中。

5.用作溶剂、香精、试剂,用于制喷漆、人造革等。[27]

乙酸甲酯 物化性质

外观与性状:
透明液体
密度:
0.908±0.06 g/cm3
熔点:
-98 °C
沸点:
44.0±3.0 °C
闪点:
-9.4±0.0 °C
水溶解性:
Soluble (81.5 g/L)
折射率:
n20/D 1.361(lit.)
蒸汽密度:
368 Torr
存储条件/存储方法:

储存注意事项[26] 储存于阴凉、通风的库房。远离火种、热源。库温不宜超过37℃。保持容器密封。应与氧化剂、酸类、碱类分开存放,切忌混储。采用防爆型照明、通风设施。禁止使用易产生火花的机械设备和工具。储区应备有泄漏应急处理设备和合适的收容材料。

稳定性相关:

1.易挥发、易燃烧、易水解。蒸气与空气形成爆炸性混合物,爆炸极限4.1%~14.0%(体积)低毒。高浓度时有麻醉作用。干燥时对金属无腐蚀性,但不宜用铜制容器,因乙酸甲酯容易水解,产生的游离乙酸对铜有腐蚀性。对回收或久贮的乙酸甲酯,使用前应检查其酸度。可能接触其蒸气时,应该佩戴自吸过滤式防毒面具(半面罩)。操作人员穿防静电工作服。戴橡胶手套。工作现场严禁吸烟。注意个人清洁卫生。

2.化学性质:乙酸甲酯容易水解,在常温下与水长时间接触也会水解生成乙酸而呈酸性。高温加热时分解成乙醛和甲醛,进一步可分解为甲烷、一氧化碳和氢。卤素,特别是碘对分解有促进作用。在镍存在下,将乙酸甲酯进行加热时,150℃以下不发生分解,超过150℃分解成甲烷、一氧化碳和水。用铜、银、钼等金属或其氧化物作催化剂与空气一同加热时,分解成甲醛与乙酸。乙酸甲酯经紫外线照射分解成甲醇、丙酮、联乙酰、乙烷、甲烷、氢、一氧化碳和二氧化碳等。在光作用下与氯反应,生成氯代乙酸甲酯。在甲醇钠存在下,乙酸甲酯于57~80℃自行缩合,生成乙酰乙酸甲酯。

3.乙酸甲酯能与某些盐类,如三氟化硼、三氯化铝、三氯化铁、氯化镍等形成复合物,与氯化钙也能形成结晶性的复合物,故氯化钙不宜用作乙酸甲酯的干燥剂。

4.是纤维素酯、纤维素醚、尿素树脂、蜜胺树脂、乙烯基树脂、酚醛树脂等的优良溶剂,但不能溶解虫胶和香豆酮树脂。乙酸甲酯能溶解氯化铜、碘化镉、氯化汞、氯化铁和氯化钴等,但不能溶解氯化钾、氯化钠和硫酸钠等。常温下在水中溶解24%;水在乙酸甲酯中溶解8%。

5.稳定性[23]  稳定

6.禁配物[24]  强氧化剂、碱类、酸类

7.聚合危害[25]  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(℃):-98.1[2]

3.沸点(℃):56.8[3]

4.相对密度(水=1):0.93(20℃)[4]

5.相对蒸气密度(空气=1):2.6[5]

6.饱和蒸气压(kPa):21.7(20℃)[6]

7.燃烧热(kJ/mol):-1592.7[7]

8.临界温度(℃):233.7[8]

9.临界压力(MPa):4.69[9]

10.辛醇/水分配系数:0.18[10]

11.闪点(℃):-10(CC);-5.6(OC)[11]

12.引燃温度(℃):454[12]

13.爆炸上限(%):16.0[13]

14.爆炸下限(%):3.1[14]

15.溶解性:微溶于水,可混溶于乙醇、乙醚等多数有机溶剂。[15]

16.黏度(mPa·s,20ºC):0.385

17.闪点(ºC,闭口):-10

18.闪点(ºC,开杯):-16

19.蒸发热(KJ/mol,56.3ºC):30.43

20.生成热(KJ/mol):414.91

21.比热容(KJ/(kg·K),18~42ºC,定压):2.10

22.沸点上升常数:2.061

23.电导率(S/m,20ºC):3.4×10-6

24.热导率(W/(m·K),12ºC):0.17104

25.体膨胀系数(K-1,20ºC):0.00139

26.相对密度(20℃,4℃):0.9342

27.相对密度(25℃,4℃):0.9473

28.临界密度(g·cm-3):0.325

29.临界体积(cm3·mol-1):228

30.临界压缩因子:0.257

31.偏心因子:0.325

32.Lennard-Jones参数(A):10.86

33.Lennard-Jones参数(K):173.3

34.溶度参数(J·cm-3)0.5:19.435

35.van der Waals面积(cm2·mol-1):6.440×109

36.van der Waals体积(cm3·mol-1):42.540

37.液相标准燃烧热(焓)(kJ·mol-1):-1592.0

38.液相标准声称热(焓)( kJ·mol-1):-445.8

39.液相标准热熔(J·mol-1·K-1):140.8

40.气相标准燃烧热(焓)(kJ·mol-1):-1625.9

41.气相标准声称热(焓)( kJ·mol-1) :-411.9

42.气相标准熵(J·mol-1·K-1) :324.38

43.气相标准生成自由能( kJ·mol-1):-325.4

44.气相标准热熔(J·mol-1·K-1):86.03

乙酸甲酯 安全信息

包装等级:
II
风险类别:
3
WGK_Germany:
1
德国有关水污染物质的分类清单
危险类别码:
R11;R36;R66;R67
安全说明:
S16-S26-S29-S33
RTECS号:
AI9100000
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。
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。
危险标志:
F:Flammable

乙酸甲酯 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AI9100000
CHEMICAL NAME :
Acetic acid, methyl ester
CAS REGISTRY NUMBER :
79-20-9
LAST UPDATED :
199712
DATA ITEMS CITED :
49
MOLECULAR FORMULA :
C3-H6-O2
MOLECULAR WEIGHT :
74.09
WISWESSER LINE NOTATION :
1VO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Human
DOSE/DURATION :
15000 mg/m3
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - cough Lungs, Thorax, or Respiration - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
32000 ppm/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
34 gm/m3/4H
TOXIC EFFECTS :
Behavioral - general anesthetic
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
67 gm/m3/1H
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory depression
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
3705 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraduodenal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
3700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
214 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Sex chromosome loss and nondisjunction
TEST SYSTEM :
Yeast - Saccharomyces cerevisiae
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 149,339,1985 *** REVIEWS *** ACGIH TLV-STEL 757 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 ACGIH TLV-TWA 606 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 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 200 ppm (610 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: 3,153,1971 OSHA PEL (Gen Indu):8H TWA 200 ppm (610 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 200 ppm (610 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 200 ppm (610 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 200 ppm (610 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 (610 mg/m3);STEL 250 ppm (760 mg/m3) JAN 1993 OEL-BELGIUM:TWA 200 ppm (610 mg/m3);STEL 250 ppm (760 mg/m3) JAN 1993 OEL-DENMARK:TWA 200 ppm (610 mg/m3) JAN 1993 OEL-FINLAND:TWA 200 ppm (610 mg/m3);STEL 250 ppm (765 mg/m3) JAN 1993 OEL-FRANCE:TWA 200 ppm (610 mg/m3);STEL 250 ppm (760 mg/m3) JAN 1993 OEL-GERMANY:TWA 200 ppm (610 mg/m3) JAN 1993 OEL-HUNGARY:TWA 200 mg/m3;STEL 500 mg/m3;Skin JAN 1993 OEL-JAPAN:TWA 200 ppm (610 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 200 ppm (610 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 200 ppm (610 mg/m3) JAN 1993 OEL-POLAND:TWA 100 mg/m3 JAN 1993 OEL-RUSSIA:TWA 200 ppm;STEL 100 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 200 ppm (610 mg/m3);STEL 400 ppm JAN 1993 OEL-TURKEY:TWA 200 ppm (610 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 200 ppm (610 mg/m3);STEL 250 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 METHYL ACETATE-air:10H TWA 200 ppm;STEL 250 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 - 46410 No. of Facilities: 1604 (estimated) No. of Industries: 26 No. of Occupations: 22 No. of Employees: 5611 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 46410 No. of Facilities: 387 (estimated) No. of Industries: 15 No. of Occupations: 31 No. of Employees: 20455 (estimated) No. of Female Employees: 6018 (estimated)
毒理学数据:

1.急性毒性[16]

LD50:5450mg/kg(大鼠经口);>5g/kg(兔经皮)

2.刺激性[17]

家兔经皮:20mg(24h),中度刺激。

家兔经眼:100mg(24h),中度刺激。

3.亚急性与慢性毒性[18]  猫吸入20g/m3,每天6h,共8d,体重减轻、衰弱,恢复缓慢。

4.致突变性[19]  性染色体缺失和不分离:酿酒酵母菌33800ppm

生态数据:

1.生态毒性[20]

LC50:320~399mg/L(96h)(黑头呆鱼)

2.生物降解性[21]  MITI-I测试,初始浓度100ppm,污泥浓度30ppm,2周后降解92%。

3.非生物降解性[22]  空气中,当羟基自由基浓度为5.00×105个/cm3时,降解半衰期为47~94d(理论)。

乙酸甲酯 MSDS

第一部分:化学品名称

乙酸甲酯 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:17.72

2、摩尔体积(cm3/mol):81.5

3、等张比容(90.2K):176.2

4、表面张力(dyne/cm):21.8

5、极化率(10-24cm3):7.02

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:1

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:5

8.表面电荷:0

9.复杂度:40.2

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

推荐供应商更多供应商>>