4a(4H)-Dibenzofurancarboxaldehyde,1,5a,6,9,9a,9b-hexahydro-
- 中文别名：牛蝇畏
- 中文释义：牛蝇畏;二环丁并四氢糠醛;4A-甲酰基-1,4,4A,5A,6,9,9A,9B-八氢氧芴
- 英文别名：4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde;
MGK repellent R-11;
Phillips r-11;
1,5A,6,9,9a,9b-hexahydro-4H-dibenzofuran-4a-carbaldehyde;
1,4,4a,5a,6,9,9a,9b-octahydrodibenzofuran-4a-carbaldehyde;
Butadien-furfural copolymer;
MGK Repellent II;
Bisbutenylenetetrahydrofurfural;
Dibutylene tetrafurfural;
Mgk repellent 11;
1ab-formyl-1a,1,4,4ab,5aa,8,8aa-octahydro-dibenzofuran;
MGK 11
- CAS No.：126-15-8
- 分子式：C13H16O2
- 分子量：204.26
- 精确分子量：204.11500
- PSA：26.30000
- MDL：MFCD00059690
- InChI：The Key: XNYGOEGATLFFOX-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.19g/cm3
- 熔点：
- -80ºC
- 沸点：
- 307ºC at 760mmHg
- 闪点：
- 136.2ºC
- 折射率：
- n20/D 1.520-1.530
- 蒸汽压：
- 0.000745mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥,与食品原料分开储运
- 稳定性相关：
可燃; 燃烧产生刺激烟雾
安全信息
- 密度：
- 1.19g/cm3
- 熔点：
- -80ºC
- 沸点：
- 307ºC at 760mmHg
- 闪点：
- 136.2ºC
- 折射率：
- n20/D 1.520-1.530
- 蒸汽压：
- 0.000745mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥,与食品原料分开储运
- 稳定性相关：
可燃; 燃烧产生刺激烟雾
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- HP5075000
- CHEMICAL NAME :
- 4a(4H)-Dibenzofurancarboxaldehyde, 1,5a,6,9,9a,9b-hexahydro-
- CAS REGISTRY NUMBER :
- 126-15-8
- BEILSTEIN REFERENCE NO. :
- 0011685
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C13-H16-O2
- MOLECULAR WEIGHT :
- 204.29
- WISWESSER LINE NOTATION :
- T B656 HO DU KUTJ GVH
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 :
- 2500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PEMNDP Pesticide Manual. (The British Crop Protection Council, 20 Bridport Rd., Thornton Heath CR4 7QG, UK) V.1- 1968- Volume(issue)/page/year: 9,626,1991
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 32,605,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PEMNDP Pesticide Manual. (The British Crop Protection Council, 20 Bridport Rd., Thornton Heath CR4 7QG, UK) V.1- 1968- Volume(issue)/page/year: 9,626,1991 *** 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84584 No. of Facilities: 683 (estimated) No. of Industries: 2 No. of Occupations: 5 No. of Employees: 3432 (estimated) No. of Female Employees: 1084 (estimated)
- 毒理学数据：
口服- 大鼠 LD50: 2500 毫克/ 公斤; 静脉-大鼠 LD50: 2000 毫克/公斤
海关数据
中国海关编码：2932999099
- 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
- 摘要/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%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：58.76
2、 摩尔体积（cm3/mol）：171.6
3、 等张比容（90.2K）：463.2
4、 表面张力（dyne/cm）：53.0
5、 极化率（10-24cm3）：23.29
计算化学数据
1.疏水参数计算参考值（XlogP）:2.1
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26.3
7.重原子数量:15
8.表面电荷:0
9.复杂度:331
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:4
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
