除虫菊素Ⅰ

除虫菊素Ⅰ 基本信息
CAS号 121-21-1 分子式 C21H28O3
分子量 328.44500 精确质量  328.20400
PSA  43.37000 LogP  4.55820

等价的CAS号:

121-21-1,56586-14-2,83602-16-8,102130-94-9,102130-95-0

基本信息 展开↓

CAS号:
121-21-1
3D弹球模型:
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分子式:
C21H28O3
分子量:
328.44500
中文名称:
除虫菊素Ⅰ
英文名称:
pyrethrin I
中文别名:
除虫菊素Ⅰ;
除虫菊素;
除虫菊素I
英文别名:
pyrethrin I;
dehydroleucodine;
(1S)-2-methyl-4-oxo-3-(2Z)-2,4-pentadien-1-yl-2-cyclopenten-1-yl (1R,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate;
(Z)-(S)-2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl (1R)-trans-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate;
(Z)-(S)-2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl (+)-trans-chrysanthemate;
(Z)-(S)-2-methyl-4-oxo-3-(penta-2,4-dienyl)cyclopent-2-enyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate;
(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate;
Dehydroleucodin;
Lidbeckialactone;
PYRETHRIN 1
精确分子量/精确质量:
328.20400
极性分子表面积/PSA:
43.37000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
204-455-8
InChI:
The Key: ROVGZAWFACYCSP-WDOSNPKHSA-N

物化性质展开↓

密度:
1.04g/cm3
沸点:
424.3ºC at 760mmHg
闪点:
182.3ºC
折射率:
1.524
蒸汽压:
2.09E-07mmHg at 25°C

安全信息展开↓

包装等级:
III
风险类别:
6.1(b)
海关代码:
2918300011
危险类别码:
R20/21/22
安全标志:
S13:远离食品、饮料和动物饲料。
S60:本物质残余物和容器必须作为危险废物处理。
S61:避免排放到环境中。参考专门的说明/安全数据表。
危险标志:
Xn: Harmful;N: Dangerous for the environment;

化学图谱

  1. 除虫菊素I质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GZ1725000
CHEMICAL NAME :
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 4-hydroxy- 3-methyl-2-(2,4-pentadienyl)-2-cyclopenten-1-one
CAS REGISTRY NUMBER :
121-21-1
BEILSTEIN REFERENCE NO. :
2004306
LAST UPDATED :
199612
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C21-H28-O3
MOLECULAR WEIGHT :
328.49
WISWESSER LINE NOTATION :
L5V BUTJ B2U2U1 C1 DOV- BL3TJ A1 A1 C1UY1&1

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 :
260 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
REFERENCE :
PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 2,308,1972
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Lungs, Thorax, or Respiration - acute pulmonary edema
REFERENCE :
BIOGAL Biologico. (Instituto Biologica, Av. Cons. Rodriques Alves, 1252, CEP 04014, Sao Paulo, Brazil) V.1- 1935- Volume(issue)/page/year: 41,283,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
960 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
30ZDA9 "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971 Volume(issue)/page/year: -,131,1971 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-FINLAND:TWA 5 mg/m3;STEL 10 mg/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 5 mg/m3;STEL 10 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83466 No. of Facilities: 152 (estimated) No. of Industries: 3 No. of Occupations: 3 No. of Employees: 493 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83466 No. of Facilities: 81 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 340 (estimated)

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:95.92

2、   摩尔体积(cm3/mol):313.2

3、   等张比容(90.2K):773.8

4、   表面张力(dyne/cm):37.2

5、   介电常数(F/m):

6、   偶极距(D):

7、   极化率(10-24cm3):38.02

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