N-甲基吡咯烷酮

外观与性状：

无色或淡黄色液体,带有一种胺的气味

密度：

1.028 g/mL at 25 °C(lit.)

熔点：

−24 °C(lit.)

沸点：

202 °C(lit.)

闪点：

187 °F

水溶解性：

>=10 g/100 mL at 20 ºC

折射率：

n20/D 1.479

蒸汽密度：

3.4 (vs air)

存储条件/存储方法：

包装完整、轻装轻放,库房通风、远离明火、高温、与氧化剂分开存放

稳定性相关：

1.无色液体，有氨味，本品毒性小。能与水混溶，溶于乙醚、丙酮等大多数有机溶剂。能溶解大多数有机与无机化合物、极性气体、天然及合成高分子化合物。

2.化学性质：在中性溶液中比较稳定。在4%的氢氧化钠溶液中8小时后有50%~70%发生水解。在浓盐酸中逐渐发生水解，生成4-甲氨基丁酸CH3NH(CH2)3COOH。由于羰基的反应，可以生成缩酮或硫代吡咯烷酮.

3.在碱催化剂存在下与烯烃作用，在第3位发生烷基化反应。N-甲基吡咯烷酮为弱碱性，能生成盐酸盐。与重金属盐形成加合物，例如与溴化镍加热到150℃，生成NiBr2(C5H9ON)3，熔点105℃。

其它信息：

1.      性状：无色透明油状液体，微有胺的气味。

2.      密度（g/mL,25/25℃）：1.0260

3.      相对蒸汽密度（g/mL,空气=1）：3.4

4.      熔点（ºC）：-24.4

5.      沸点（ºC,常压）：204

6.      沸点（ºC, 1.87kPa）：84.5

7.      折射率（25ºC）：1.468

8.      黏度（mPa·s）：1.65

9.      闪点（ºC）：95

10.    燃点（ºC）：346

11.   蒸发热（KJ/kg,b.p.）：439.5

12.   燃烧热（KJ/mol）：3010

13.   临界温度（ºC）：445

14.   临界压力（MPa）：4.76

15.   电导率（S/m,25ºC）：(1~2)×10^-8

16.   蒸气压（kPa,150ºC）：21.60

17.   蒸气压（kPa,100ºC）：3.20

18.   蒸气压（kPa,78~79ºC）：1.33

19.   蒸气压（kPa,60ºC）：0.53

20.   溶解性：易溶于水、乙醇、乙醚、丙酮、乙酸乙酯、氯仿和苯，能溶解大多数有机与无机化合物、极性气体、天然及合成高分子化合物。

海关代码：

2933990090

WGK_Germany：

1
德国有关水污染物质的分类清单

危险类别码：

R36/38

安全说明：

S41

RTECS号：

UY5790000

安全标志：

S41:当发生火灾和/或爆炸时，不要吸入烟雾。

危险标志：

Xi:Irritant

CHEMICAL IDENTIFICATION

RTECS NUMBER :

UY5790000

CHEMICAL NAME :

2-Pyrrolidinone, 1-methyl-

CAS REGISTRY NUMBER :

872-50-4

LAST UPDATED :

199806

DATA ITEMS CITED :

36

MOLECULAR FORMULA :

C5-H9-N-O

MOLECULAR WEIGHT :

99.15

WISWESSER LINE NOTATION :

T5NVTJ A

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration into the eye

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

3914 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 :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2472 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 :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>2 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 :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

80500 ug/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 :

Rodent - rat

DOSE/DURATION :

7 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 :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

5130 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 :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

3050 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 :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

54500 ug/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 :

Intravenous

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

63300 ug/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 :

8 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

30240 mg/kg/28D-C

TOXIC EFFECTS :

Behavioral - food intake (animal) Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

33750 mg/kg/90D-I

TOXIC EFFECTS :

Behavioral - muscle weakness

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

400 mg/m3/6H/4W-I

TOXIC EFFECTS :

Lungs, Thorax, or Respiration - acute pulmonary edema Blood - changes in leukocyte (WBC) count Related to Chronic Data - death

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

100 ppm/6H/2Y-I

TOXIC EFFECTS :

Kidney, Ureter, Bladder - other changes in urine composition

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

423 mg/m3/6H/4W-I

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

33600 mg/kg/28D-C

TOXIC EFFECTS :

Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

9700 mg/kg

SEX/DURATION :

female 6-15 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - other developmental abnormalities

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

DOSE :

150 ppm/6H

SEX/DURATION :

female 7-20 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) Reproductive - Effects on Newborn - delayed effects

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Inhalation

DOSE :

116 ppm/6H

SEX/DURATION :

multigenerations

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Administration onto the skin

DOSE :

7500 mg/kg

SEX/DURATION :

female 6-15 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

166 mg/kg

SEX/DURATION :

female 9 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

12825 mg/kg

SEX/DURATION :

female 11-15 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

7625 mg/kg

SEX/DURATION :

female 11-15 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

MUTATION DATA

TYPE OF TEST :

Sex chromosome loss and nondisjunction

TEST SYSTEM :

Yeast - Saccharomyces cerevisiae

DOSE/DURATION :

154 mmol/L

REFERENCE :

EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 11,31,1988 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-DENMARK:TWA 100 ppm (400 mg/m3) JAN 1993 OEL-GERMANY:TWA 100 ppm (400 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 100 ppm (400 mg/m3) JAN 1993 OEL-RUSSIA:STEL 100 mg/m3 JAN 1993 OEL-SWITZERLAND:TWA 200 ppm (400 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 100 ppm (400 mg/m3) JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1569 No. of Facilities: 2458 (estimated) No. of Industries: 30 No. of Occupations: 43 No. of Employees: 25255 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1569 No. of Facilities: 3902 (estimated) No. of Industries: 63 No. of Occupations: 73 No. of Employees: 85169 (estimated) No. of Female Employees: 23478 (estimated)

毒理学数据：

1、急性毒性：小鼠口经LC50：5130mg/kg；大鼠口经LD50：3914mg/kg

                          小鼠腹腔LC50：3050mg/kg；大鼠腹腔LD50：2472mg/kg

                          小鼠静脉LC50：54500ug/kg；大鼠静脉LD50：80500ug/kg

                          大鼠吸入LD50：1mg/m3

2、刺激数据：眼- 兔子 100 毫克 中度。

3、虽然毒性低，但不能内服。大鼠急性经口毒性LD10。为10mL/kg；LD50为7mL/kg。用量为0.25mg/kg时对大鼠和兔的神经、血液无毒害。皮肤涂敷，蒸气吸入试验表明毒性低。

生态数据：

对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境。

中国海关编码：2933990090

概述：

2933990090. 其他仅含氮杂原子的杂环化合物. 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:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

摘要/Summary：

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构数据

1、   摩尔折射率：26.85

2、   摩尔体积（cm³/mol）：96.2

3、   等张比容（90.2K）：232.1

4、   表面张力（dyne/cm）：33.7

5、   极化率（10^-24cm³）：10.64

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:1

4.可旋转化学键数量:0

5.互变异构体数量:2

6.拓扑分子极性表面积20.3

7.重原子数量:7

8.表面电荷:0

9.复杂度:90.1

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

• 
  1-甲基-2-吡咯烷酮核磁图(¹HNMR)
• 
  1-甲基-2-吡咯烷酮核磁图(¹³CNMR)
• 
  1-甲基-2-吡咯烷酮质谱(MS)
• 
  1-甲基-2-吡咯烷酮红外图谱(IR1)