乙酸丙酯

  • 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

乙酸丙酯 基本信息

中文名称:
乙酸丙酯 
中文别名:
乙酸丙酯;
乙酸正丙酯;
醋酸丙酯;
醋酸正丙酯 
英文名称:
Acetic acid, propylester
英文别名:
propyl acetate;
Propyl acetate;
3-Pyridinesulfonamide,5-nitro-N-propyl;
Acetic Acid Propyl Ester;
N-Propyl 5-nitro-3-pyridinesulfonamide 
CAS No.:
109-60-4
分 子 式:
C5H10O2
分 子 量:
102.13
精确分子量:
102.06800
PSA:
26.30000
MDL:
MFCD00009372
EINECS:
203-686-1
BRN:
1740764
InChI:
InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
危险品标志:
FlammableFIrritantXi
风险术语:
R11;R36
安全术语:
S16;S26;S29
分子结构式:
SDS:
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乙酸丙酯 制备方法及用途

制备方法

1.由乙酸和丙醇酯化而得。在搪玻璃反应锅中,加入丙醇;乙酸和硫酸,加热回流10h,冷却后用甲醇钠中和至pH=7-8,经氯化钙干燥后进行常压分馏,收集105-115℃馏分,即为成品。2.精制方法:乙酸丙酯常含有水、乙酸和丙醇等杂质。精制时用碳酸氯钠或碳酸钠饱和溶液将酸中和,再用饱和食盐水溶液洗涤,用无水硫酸钠或硫酸镁等干燥剂进行干燥后,蒸馏。3.制法:于装有回流冷凝管器的反应瓶中,加入冰醋酸60g(1.0mol),1-丙醇(2)40g(0.67mol),一粒沸石,浓硫酸2mL。加热回流反应12h。反应结束后,倒入250mL水中,用氯化钠饱和。分出上层有机层,而后用饱和碳酸氢钠溶液洗涤。无水硫酸钠干燥,蒸馏,收集101~102℃的馏分,得乙酸丙酯(1)36g,收率53%。

合成制备方法

1.由乙酸和丙醇酯化而得。在搪玻璃反应锅中,加入丙醇;乙酸和硫酸,加热回流10h,冷却后用甲醇钠中和至pH=7-8,经氯化钙干燥后进行常压分馏,收集105-115℃馏分,即为成品。

2.精制方法:乙酸丙酯常含有水、乙酸和丙醇等杂质。精制时用碳酸氯钠或碳酸钠饱和溶液将酸中和,再用饱和食盐水溶液洗涤,用无水硫酸钠或硫酸镁等干燥剂进行干燥后,蒸馏。

3.制法:

于装有回流冷凝管器的反应瓶中,加入冰醋酸60g(1.0mol),1-丙醇(2)40g(0.67mol),一粒沸石,浓硫酸2mL。加热回流反应12h。反应结束后,倒入250mL水中,用氯化钠饱和。分出上层有机层,而后用饱和碳酸氢钠溶液洗涤。无水硫酸钠干燥,蒸馏,收集101~102℃的馏分,得乙酸丙酯(1)36g,收率53%。[26]

用途简介

该品是缓和快干剂,用于弹性版印刷油墨和凹版印刷油墨,特别是用在降烯烃和聚酰胺薄膜印刷。还用作硝酸纤维素;氯化橡胶和热反应性酚醛塑料的溶剂。乙酸丙酯具有轻微果实香味。稀释后呈梨似香气。天然品存在于香蕉;蕃茄;复盆子等中。我国GB2760-86规定为允许使用的食用香料。主要用以配制梨和醋栗等型香精,亦用作水果型香料的溶剂。大量用作各种有机和无机物的萃取溶剂,涂料、硝基喷漆、清漆及各种树脂的溶剂以及香料的制造。用于制造食用香料。还用作硝酸纤维素、氯化橡胶和热反应性酚醛塑料的容积,以及用于造漆、塑料、有机物合成等。用作调味剂、食用香料、硝化纤维溶剂和试剂,以及用于造漆、塑料、有机物合成等。

用途

1.该品是缓和快干剂,用于弹性版印刷油墨和凹版印刷油墨,特别是用在降烯烃和聚酰胺薄膜印刷。还用作硝酸纤维素;氯化橡胶和热反应性酚醛塑料的溶剂。乙酸丙酯具有轻微果实香味。稀释后呈梨似香气。天然品存在于香蕉;蕃茄;复盆子等中。我国GB2760-86规定为允许使用的食用香料。主要用以配制梨和醋栗等型香精,亦用作水果型香料的溶剂。大量用作各种有机和无机物的萃取溶剂,涂料、硝基喷漆、清漆及各种树脂的溶剂以及香料的制造。

2.用于制造食用香料。还用作硝酸纤维素、氯化橡胶和热反应性酚醛塑料的容积,以及用于造漆、塑料、有机物合成等。

3.用作调味剂、食用香料、硝化纤维溶剂和试剂,以及用于造漆、塑料、有机物合成等。[25]

乙酸丙酯 物化性质

外观与性状:
无色液体带有一种强烈的气味
密度:
0.888 g/mL at 25 °C(lit.)
熔点:
−95 °C(lit.)
沸点:
102 °C(lit.)
闪点:
55 °F
水溶解性:
2g/100 mL (20 ºC)
折射率:
n20/D 1.384(lit.)
蒸汽压:
35.2mmHg 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:有水存在时逐渐水解,生成乙酸和丙醇。水解速度为乙酸乙酯的1/4。乙酸丙酯加热到450~470℃时,除生成丙烯和乙酸外,尚有乙醛、丙醛、甲醇、乙醇、乙烷、乙烯和水等。在镍催化剂存在下,加热至375~425℃时,生成一氧化碳、二氧化碳、氢、甲烷和乙烷等。氯、溴、溴化氢与乙酸丙酯在低温即可反应。光照下与氯反应时,2小时内生成85%的一氯代丙基乙酸酯。其中2/3为2-氯取代物,1/3为3-氯取代物。在三氯化铝存在下,乙酸丙酯同苯一起加热,生成丙基苯、4-丙基苯乙酮和异丙基苯等。

2.稳定性[21]  稳定

3.禁配物[22]  强氧化剂、酸类、碱类

4.聚合危害[23]  不聚合

其它信息:

1.性状:无色澄清液体,有芳香气味。[1]

2.熔点(℃):-92.5[2]

3.沸点(℃):101.6[3]

4.相对密度(水=1):0.88[4]

5.相对蒸气密度(空气=1):3.52[5]

6.饱和蒸气压(kPa):3.3(20℃)[6]

7.燃烧热(kJ/mol):-2890.5[7]

8.临界温度(℃):276.2[8]

9.临界压力(MPa):3.33[9]

10.辛醇/水分配系数:1.23~1.24[10]

11.闪点(℃):13(CC)[11]

12.引燃温度(℃):450[12]

13.爆炸上限(%):8.0[13]

14.爆炸下限(%):2[14]

15.溶解性:微溶于水,溶于醇类、酮类、酯类、油类等多数有机溶剂。[15]

16.黏度(mPa·s,20ºC):0.585

17.闪点(ºC,闭口):12.7

18.闪点(ºC,开口):22.2

19.燃点(ºC):450

20.蒸发热(KJ/mol,b.p.):34.33

21.蒸发热(KJ/kg,b.p.):336.2

22.生成热(KJ/mol):472.3

23.比热容(KJ/(kg·K),20ºC,定压):1.92

24.电导率(S/m):2.2×10-7

25.体膨胀系数(K-1,20ºC):0.0012

26.临界密度(g·cm-3):0.296

27.临界体积(cm3·mol-1):345

28.临界压缩因子:0.254

29.偏心因子:0.394

30.溶度参数(J·cm-3)0.5:18.005

31.van der Waals面积(cm2·mol-1):9.140×109

32.van der Waals体积(cm3·mol-1):63.000

33.液相标准热熔(J·mol-1·K-1):196.6

乙酸丙酯 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;R66;R67
安全说明:
S16-S26-S29-S33
RTECS号:
AJ3675000
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

乙酸丙酯 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ3675000
CHEMICAL NAME :
Acetic acid, propyl ester
CAS REGISTRY NUMBER :
109-60-4
BEILSTEIN REFERENCE NO. :
1740764
LAST UPDATED :
199712
DATA ITEMS CITED :
44
MOLECULAR FORMULA :
C5-H10-O2
MOLECULAR WEIGHT :
102.15
WISWESSER LINE NOTATION :
3OV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 1/25/1965
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: -,355,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Human
DOSE/DURATION :
1000 mg/m3
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - cough Lungs, Thorax, or Respiration - other changes
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 - rat
DOSE/DURATION :
9370 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Skin and Appendages - hair
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8000 ppm/4H
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: 30,470,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8300 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Skin and Appendages - hair
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1420 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: -,8,1961
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
38 gm/m3/5H
TOXIC EFFECTS :
Behavioral - general anesthetic Gastrointestinal - changes in structure or function of salivary glands Blood - other changes
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 :
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)
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 :
6640 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 :
UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 1/25/1965
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
3 gm/kg
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 *** REVIEWS *** ACGIH TLV-STEL 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 ACGIH TLV-TWA 835 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 (840 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: 3,216,1971 OSHA PEL (Gen Indu):8H TWA 200 ppm (840 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 (840 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 (840 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 (840 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 (840 mg/m3);STEL 250 ppm (1050 mg/m3) JAN 1993 OEL-BELGIUM:TWA 200 ppm (835 mg/m3);STEL 250 ppm (1040 mg/m3) JAN 1993 OEL-DENMARK:TWA 200 ppm (840 mg/m3) JAN 1993 OEL-FINLAND:TWA 200 ppm (840 mg/m3);STEL 250 ppm (1050 mg/m3) JAN 1993 OEL-FRANCE:TWA 200 ppm (840 mg/m3) JAN 1993 OEL-GERMANY:TWA 200 ppm (840 mg/m3) JAN 1993 OEL-HUNGARY:TWA 200 mg/m3;STEL 600 mg/m3;Skin JAN 1993 OEL-JAPAN:TWA 200 ppm (830 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 200 ppm (840 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 200 ppm (840 mg/m3) JAN 1993 OEL-POLAND:TWA 200 mg/m3 JAN 1993 OEL-RUSSIA:TWA 200 ppm;STEL 200 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 200 ppm (840 mg/m3);STEL 400 ppm JAN 1993 OEL-TURKEY:TWA 200 ppm (840 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 200 ppm (840 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 n-PROPYL 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 - 63265 No. of Facilities: 1960 (estimated) No. of Industries: 38 No. of Occupations: 48 No. of Employees: 32970 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 63265 No. of Facilities: 3859 (estimated) No. of Industries: 34 No. of Occupations: 42 No. of Employees: 46856 (estimated) No. of Female Employees: 11660 (estimated)
毒理学数据:

1、急性毒性:小鼠经口LD50:8300mg/kg;大鼠经口LD50:9370mg/kg;兔子经口LD50:6640mg/kg;兔子经皮肤LD50:>20mg/kg

2、对皮肤和眼睛的刺激:兔子的皮肤:500mg/24H,轻度刺激。兔子经眼: 500mg/24H,轻度刺激。

3、属微毒类。对黏膜有刺激和麻醉作用。吸入后有恶心、胸闷、乏力等。嗅觉阈浓度83.4mg/m3。TJ 36-79规定车间空气中最高容许浓度为300mg/m3。

4.急性毒性[16]

LD50:9370mg/kg(大鼠经口)

LC50:8000ppm(大鼠吸入,4h)

5.刺激性[17]  家兔经皮:500mg,轻度刺激(开放性刺激试验)

生态数据:

1.生态毒性[18]

LC50:60mg/L(96h)(黑头呆鱼)

IC50:26~530mg/L(72h)(藻类)

2.生物降解性[19]  MITI-I测试,初始浓度100mg/L,污泥浓度30mg/L,14d后降解81%。

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5d(理论)。在25℃,当pH值为7,8,9时,水解半衰期分别为3.3a,119d,12d(理论)。

乙酸丙酯 MSDS

第一部分:化学品名称

乙酸丙酯 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%

乙酸丙酯 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:26.98

2、摩尔体积(cm3/mol):114.5

3、等张比容(90.2K):255.8

4、表面张力(dyne/cm):24.8

5、极化率(10-24cm3):10.69

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:3

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:59.1

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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