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512-85-6

512-85-6结构式
512-85-6结构式
  • 常用中文名:阿斯利多
  • 常用英文名:Ascaridole
  • CAS号:512-85-6
  • 分子式:C10H16O2
  • 分子量:168.23
  • 相关类别: 研究领域 心血管疾病
  • 发布时间:2018-07-08 18:05:35
  • 更新时间:2024-01-08 22:12:29
  • Ascaridole是一种驱虫药,也具有抗疟活性[1]。

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中文名 阿斯利多
英文名 ascaridole
英文别名 Ascaridiol
1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene
Askaridol
1,4-Peroxy-p-menth-2-ene
Ascarisin
1,4-epidioxy-p-menth-2-ene
Ascaridol
cis-Ascaridole
1,4-Peroxido-p-menthene-2
ASCARIDOLE
Ascaridole0 nnDiscontiuned Unable to ship
Ascaricum
1-methyl-4-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
密度 1.051 g/cm3
沸点 172.3ºC at 760 mmHg
熔点 3.3ºC
分子式 C10H16O2
分子量 168.23
闪点 55.9ºC
精确质量 168.11500
PSA 18.46000
LogP 2.45170
折射率 1.498
储存条件 库房通风低温干燥,轻装轻卸,与有机物、还原剂、硫、磷易燃物分开存放
稳定性

1. 存在于烟叶中。

2. 致癌活性弱。

分子结构

1、 摩尔折射率:48.83

2、 摩尔体积(cm3/mol):162.6

3、 等张比容(90.2K):413.1

4、 表面张力(dyne/cm):41.5

5、 极化率(10-24cm3):19.36

计算化学

1.疏水参数计算参考值(XlogP):2.3

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:1

5.互变异构体数量:无

6.拓扑分子极性表面积18.5

7.重原子数量:12

8.表面电荷:0

9.复杂度:222

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:2

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

更多

1. 性状:不稳定液体,加热或以有机酸处理易爆炸。

2. 溶解性:不溶于水,溶于乙醇、丙酮、苯,微溶于氯仿。

3. 沸点(ºC):39~40(266.6pa)

4. 熔点(ºC):3.3

5. 闪点(ºC):55.9

6. 相对密度(d204) :1.0103

7. 折射率 (n20D) :1.4769

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OT0175000
CHEMICAL NAME :
p-Menth-2-ene, 1,4-epidioxy-
CAS REGISTRY NUMBER :
512-85-6
LAST UPDATED :
199710
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C10-H16-O2
MOLECULAR WEIGHT :
168.26
WISWESSER LINE NOTATION :
T66 A B AO BO DUTJ CY F

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
SCCUR* Shell Chemical Company. Unpublished Report. (2401 Crow Canyon Rd., San Romon, CA 94583) Volume(issue)/page/year: -,1,1961 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 7,252,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 7,252,1948
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 24,359,1925 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
25 gm/kg/42W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
REFERENCE :
JNCIAM Journal of the National Cancer Institute. (Washington, DC) V.1-60, 1940-78. For publisher information, see JJIND8. Volume(issue)/page/year: 35,707,1965
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
38 gm/kg/63W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
REFERENCE :
14JTAF "Mycotoxins in Foodstuffs, Proceedings of the Symposium held at the Massachusetts Institute of Technology, 1964," Wogan, G.N., ed., Cambridge, MA, MIT Press, 1965 Volume(issue)/page/year: -,275,1965

海关编码 2932999099

~97%

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文献:Ribeiro, Sonia M.; Serra, Armenio C.; Rocha Gonsalves, A.M.d'A. Tetrahedron, 2007 , vol. 63, # 33 p. 7885 - 7891

~76%

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文献:Jary, Walther G.; Ganglberger, Thorsten; Poechlauer, Peter; Falk, Heinz Monatshefte fur Chemie, 2005 , vol. 136, # 4 p. 537 - 541

~%

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文献:Nardello, Veronique; Herve, Melanie; Alsters, Paul L.; Aubry, Jean-Marie Advanced Synthesis and Catalysis, 2002 , vol. 344, # 2 p. 184 - 191

~36%

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文献:Nitz, Siegfried; Kollmannsberger, Hubert; Spraul, Martin H.; Drawert, Friedrich Phytochemistry (Elsevier), 1989 , vol. 28, # 11 p. 3051 - 3054

~38%

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文献:Nitz, Siegfried; Kollmannsberger, Hubert; Spraul, Martin H.; Drawert, Friedrich Phytochemistry (Elsevier), 1989 , vol. 28, # 11 p. 3051 - 3054

~90%

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详细
文献:Matusch, Rudolf; Schmidt, Gerhard Angewandte Chemie, 1988 , vol. 100, # 5 p. 729 - 730

~%

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文献:Schenck; Gollnick Journal de Chimie Physique et de Physico-Chimie Biologique, 1958 , vol. 55, p. 892

~%

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文献:Schenck et al. Justus Liebigs Annalen der Chemie, 1953 , vol. 584, p. 125,149 Full Text Show Details Schering A. G. Patent: DE752437 , 1941 ; DRP/DRBP Org.Chem. Full Text Show Details Schenck; Ziegler Naturwissenschaften, 1944 , vol. 32, p. 157

~%

512-85-6结构式

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文献:Schenck et al. Justus Liebigs Annalen der Chemie, 1953 , vol. 584, p. 125,149 Full Text Show Details Schering A. G. Patent: DE752437 , 1941 ; DRP/DRBP Org.Chem. Full Text Show Details Schenck; Ziegler Naturwissenschaften, 1944 , vol. 32, p. 157

1. 用氧气、叶绿素和光加热处理a-萜烯制备而得。

海关编码 2932999099
中文概述 2932999099. 其他仅含氧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
Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%