净种灵

密度：

1.16g/cm3

沸点：

455ºC at 760mmHg

闪点：

229ºC

折射率：

1.555

蒸汽压：

1.82E-08mmHg at 25°C

稳定性相关：

在酸性情况下稳定，碱性情况下稍不稳定

其它信息：

1.性状：外观带淡棕色液体。

2.相对密度：1.152(20℃)

3.沸点（ºC,常压）：235℃(分解)

4.蒸气压（kPa,25ºC）：6.48×10-4Pa(23℃)

5.溶解性：25℃时溶解度：二甲基亚砜、乙醇、丙酮、乙腈、氯仿、乙酸乙酯、甲苯均>1000 g/L，环己烷 36.9g/L，正己烷12.0g/L，水0.443g/L。

CHEMICAL IDENTIFICATION

RTECS NUMBER :

EK7870000

CHEMICAL NAME :

Butanoic acid, 2-((2-furanylmethyl)(1H-imidazol-1-ylcarbonyl)amino)- , 4-pentenyl ester

CAS REGISTRY NUMBER :

101903-30-4

LAST UPDATED :

199512

DATA ITEMS CITED :

9

MOLECULAR FORMULA :

C18-H23-N3-O4

MOLECULAR WEIGHT :

345.44

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

981 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (57),33,1990

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>3450 mg/m3

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (57),33,1990

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>2 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (57),33,1990

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

946 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (57),33,1990

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Bird - chicken

DOSE/DURATION :

4220 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (57),33,1990

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Bird - quail

DOSE/DURATION :

2380 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (57),33,1990 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1847 mg/kg/13W-C

TOXIC EFFECTS :

Liver - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases

REFERENCE :

NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 16,703,1991

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

13104 mg/kg/52W-C

TOXIC EFFECTS :

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

REFERENCE :

NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 16,563,1991 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

4550 mg/kg

SEX/DURATION :

female 6-18 day(s) after conception

TOXIC EFFECTS :

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

REFERENCE :

NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 16,703,1991

毒理学数据：

大鼠急性经口LD₅₀981mg/kg(雄)、1051 mg/kg(雌)，小鼠急性经口LD₅₀1299mg/kg(雄)、946mg/kg(雌)；雌、雄大鼠急性经皮LD₅₀＞2000mg/kg；雌、雄大鼠急性吸入LC₅₀＞3450mg/m³。对兔眼睛有轻微刺激，对兔皮肤无刺激作用。豚鼠皮肤无致敏性。大量短期和长期毒性试验表明，该化合物对细菌无诱变作用，对大鼠和兔不会致畸，对大鼠、小鼠、兔、豚鼠的药理学研究未见有害影响。鲤鱼LC₅₀16.9mg/L(48h)，鲫鱼LC₅₀20.0 mg/L(48h)，硬头鳟LC₅₀4.0 mg/L (48h)，剑蚤LC₅₀＞100mg/L (6h)。蜜蜂接触

LD₅₀100μg／只。鹌鹑急性经口LD₅₀2380 mg/kg，鸡急性经口LD₅₀4228mg/kg。

分子结构数据

1、  摩尔折射率：95.48

2、  摩尔体积（cm³/mol）：297.4

3、  等张比容（90.2K）：762.3

4、  表面张力（dyne/cm）：43.1

5、  极化率（10-24cm3）：37.85

计算化学数据

1.疏水参数计算参考值（XlogP）:2.8

2.氢键供体数量:0

3.氢键受体数量:5

4.可旋转化学键数量:10

5.互变异构体数量:无

6.拓扑分子极性表面积77.6

7.重原子数量:25

8.表面电荷:0

9.复杂度:458

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:1

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