2-Propenoic acid,2-methyl-, butyl ester

物化性质

外观与性状：

透明无色液体带有一种酯的气味

密度：

0.895 g/mL at 20 °C

熔点：

-75 °C

沸点：

162-165 °C(lit.)

闪点：

123 °F

水溶解性：

3 g/L (20 ºC)

折射率：

n20/D 1.423(lit.)

蒸汽密度：

4.91 (15 °C, vs air)

存储条件/存储方法：

库房通风低温干燥,与氧化剂分开储运

稳定性相关：

1.本品与甲基丙烯酸甲酯基本相同，毒性较低。大鼠经口LD50为20mL/kg体重。防护要求与甲基丙烯酸甲酯同。

2.稳定性^[23] 稳定

3.禁配物^[24] 强氧化剂、强酸、强碱

4.避免接触的条件^[25]受热、光照、紫外线、接触空气

5.聚合危害^[26] 聚合

其它信息：

1.性状：无色透明液体，具有甜味和酯气味。^[1]

2.熔点（℃）：-76.3~-74.9^[2]

3.沸点（℃）：160~163^[3]

4.相对密度（水=1）：0.90（20℃）^[4]

5.相对蒸气密度（空气=1）：4.8^[5]

6.饱和蒸气压（kPa）：0.65（20℃）^[6]

7.燃烧热（KJ/mol）：-4891.7^[7]

8.临界压力（MPa）：2.6^[8]

9.辛醇/水分配系数：2.88^[9]

10.闪点（℃）：41；54.4（OC）：52.2（OC）^[10]

11.引燃温度：294^[11]

12.爆炸上限（%）：8^[12]

13.爆炸下限（%）：2^[13]

14.溶解性：不溶于水，可混溶于醇、醚，溶于多数有机溶剂。^[14]

安全信息

外观与性状：

透明无色液体带有一种酯的气味

密度：

0.895 g/mL at 20 °C

熔点：

-75 °C

沸点：

162-165 °C(lit.)

闪点：

123 °F

水溶解性：

3 g/L (20 ºC)

折射率：

n20/D 1.423(lit.)

蒸汽密度：

4.91 (15 °C, vs air)

存储条件/存储方法：

库房通风低温干燥,与氧化剂分开储运

稳定性相关：

1.本品与甲基丙烯酸甲酯基本相同，毒性较低。大鼠经口LD50为20mL/kg体重。防护要求与甲基丙烯酸甲酯同。

2.稳定性^[23] 稳定

3.禁配物^[24] 强氧化剂、强酸、强碱

4.避免接触的条件^[25]受热、光照、紫外线、接触空气

5.聚合危害^[26] 聚合

其它信息：

1.性状：无色透明液体，具有甜味和酯气味。^[1]

2.熔点（℃）：-76.3~-74.9^[2]

3.沸点（℃）：160~163^[3]

4.相对密度（水=1）：0.90（20℃）^[4]

5.相对蒸气密度（空气=1）：4.8^[5]

6.饱和蒸气压（kPa）：0.65（20℃）^[6]

7.燃烧热（KJ/mol）：-4891.7^[7]

8.临界压力（MPa）：2.6^[8]

9.辛醇/水分配系数：2.88^[9]

10.闪点（℃）：41；54.4（OC）：52.2（OC）^[10]

11.引燃温度：294^[11]

12.爆炸上限（%）：8^[12]

13.爆炸下限（%）：2^[13]

14.溶解性：不溶于水，可混溶于醇、醚，溶于多数有机溶剂。^[14]

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

OZ3675000

CHEMICAL NAME :

Methacrylic acid, butyl ester

CAS REGISTRY NUMBER :

97-88-1

BEILSTEIN REFERENCE NO. :

0773960

LAST UPDATED :

199710

DATA ITEMS CITED :

25

MOLECULAR FORMULA :

C8-H14-O2

MOLECULAR WEIGHT :

142.22

WISWESSER LINE NOTATION :

4OVY1&U1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Open irritation test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 23,343,1941 ** ACUTE TOXICITY DATA **

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

16 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 - rat

DOSE/DURATION :

4910 ppm/4H

TOXIC EFFECTS :

Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Sense Organs and Special Senses (Eye) - effect, not otherwise specified Lungs, Thorax, or Respiration - dyspnea

REFERENCE :

JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 16,811,1985

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2304 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JDREAF Journal of Dental Research. (International Assoc. for Dental Research, 734 15th St., NW, Suite 809, Washington, DC 20005) V.1- 1919- Volume(issue)/page/year: 51,1632,1972

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

12900 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: 41(4),6,1976

TYPE OF TEST :

LC - Lethal concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

>17 gm/m3/7.6H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JBMRBG Journal of Biomedical Materials Research. (John Wiley & Sons, Inc., 605 Third Ave., New York, NY 10158) V.1- 1967- Volume(issue)/page/year: 8,11,1974

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1490 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,778,1973

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

166 uL/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 63,376,1974

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

25 gm/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: 41(4),6,1976

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

11300 uL/kg

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 :

Administration onto the skin

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

>20 mL/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: 0TS0516721 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

107 gm/kg/17W-I

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - changes in lung weight Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

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: 19(9),57,1975

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

975 mg/kg/39W-I

TOXIC EFFECTS :

Brain and Coverings - recordings from specific areas of CNS Behavioral - alteration of classical conditioning Liver - other changes

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 41(4),6,1976

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

975 mg/kg/39W-I

TOXIC EFFECTS :

Blood - pigmented or nucleated red blood cells Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - catalases

REFERENCE :

GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 41(4),6,1976 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

2304 mg/kg

SEX/DURATION :

female 5-15 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

REFERENCE :

JDREAF Journal of Dental Research. (International Assoc. for Dental Research, 734 15th St., NW, Suite 809, Washington, DC 20005) V.1- 1919- Volume(issue)/page/year: 51,1632,1972

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

690 mg/kg

SEX/DURATION :

female 5-15 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - other developmental abnormalities

REFERENCE :

JDREAF Journal of Dental Research. (International Assoc. for Dental Research, 734 15th St., NW, Suite 809, Washington, DC 20005) V.1- 1919- Volume(issue)/page/year: 51,1632,1972 *** REVIEWS *** TOXICOLOGY REVIEW EVHPAZ EHP, Environmental Health Perspectives. (U.S. Government Printing Office, Supt of Documents, Washington, DC 20402) No.1- 1972- Volume(issue)/page/year: 11,141,1975 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 30 mg/m3 JAN 1993 OEL-SWEDEN:TWA 50 ppm (300 mg/m3);STEL 75 ppm (450 mg/m3) JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84160 No. of Facilities: 1231 (estimated) No. of Industries: 37 No. of Occupations: 39 No. of Employees: 31041 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84160 No. of Facilities: 779 (estimated) No. of Industries: 16 No. of Occupations: 19 No. of Employees: 10001 (estimated) No. of Female Employees: 2931 (estimated)

毒理学数据：

1、 急性毒性：小鼠腹腔LD50：1490 mg/kg；兔经皮LD50：11300 mg/kg ；大鼠经口LD50：20g/kg； 大鼠吸入LC50：19689mg/m3，4小时；

2、对眼睛、呼吸系统及皮肤有刺激性，接触皮肤引起过敏。

3.急性毒性^[15]

LD50：16g/kg（大鼠经口）；1490mg/kg（小鼠腹腔）；11300mg/kg（兔经皮）

LC50：19689mg/m³ ppm（大鼠吸入，4h）

4.刺激性^[16] 家兔经皮：500ul，轻度刺激。

5.亚急性与慢性毒性^[17] 大鼠经口5%LD50，4~6个月（喂饲），中度蓄积。

生态数据：

1.生态毒性^[18] EC50：37~55mg/L（5，15，30min）（发光菌，Microtox测试）

2.生物降解性^[19] MITI-I测试，初始浓度100ppm，污泥浓度30ppm，28d后降解38%。

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17h（理论）。

当pH值为11时，水解半衰期为4h。

4.生物富集性^[21] BCF：91（理论）

5.其他有害作用^[22] 该物质对环境可能有危害，对水体应给予特别注意。

MSDS

第一部分：化学品名称

海关数据

中国海关编码：2916140000

概述：

2916140000. 甲基丙烯酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:80.0%

申报要素：

品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装

摘要/Summary：

2916140000. other esters of methacrylic acid. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:80.0%

分子结构与计算化学数据

分子结构数据

1、摩尔折射率：40.45

2、摩尔体积（cm³/mol）：158.9

3、等张比容（90.2K）：360.3

4、表面张力（dyne/cm）：26.4

5、极化率：16.03

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:5

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:10

8.表面电荷:0

9.复杂度:127

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