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柿酚
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 海关数据
- 结构与计算化学
柿酚 基本信息
- 中文名称：
- 柿酚
- 中文别名：
- 柿酚
- 英文名称：
- [2,2'-Binaphthalene]-1,1',8,8'-tetrol,6,6'-dimethyl-
- 英文别名：
- 2-(1,8-dihydroxy-6-methylnaphthalen-2-yl)-6-methylnaphthalene-1,8-diol;
Diospyrol
- CAS No.：
- 17667-23-1
- 分 子 式：
- C22H18O4
- 分 子 量：
- 346.40
- 精确分子量：
- 346.12100
- PSA：
- 80.92000
- InChI：
- The Key: ATGBDIJBTXFUFY-UHFFFAOYSA-N
- 安全术语：
- Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and fumes.
- 分子结构式：
-
- SDS：
- 查看
柿酚 物化性质
- 密度：
- 1.389g/cm3
- 沸点：
- 615.8ºC at 760 mmHg
- 闪点：
- 289ºC
- 折射率：
- 1.771
- 蒸汽压：
- 9.3E-16mmHg at 25°C
柿酚 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- DU3108000
- CHEMICAL NAME :
- (2,2'-Binaphthalene)-1,1'-8,8'-tetrol, 6,6'-dimethyl-
- CAS REGISTRY NUMBER :
- 17667-23-1
- BEILSTEIN REFERENCE NO. :
- 2064741
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C22-H18-O4
- MOLECULAR WEIGHT :
- 346.40
- WISWESSER LINE NOTATION :
- L66J BQ H1 JQ C- CL66J BQ H1 JQ
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 :
- >3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 24,2000,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 24,2000,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- >2 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 24,2000,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540,
08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year:
5,438,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - hamster
- DOSE/DURATION :
- >3 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag,
Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951-
Volume(issue)/page/year: 24,2000,1974
柿酚 海关数据
中国海关编码：2907299090
- 概述：
- 2907299090 其他多元酚，酚醇。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途
- 监管条件：
- A.入境货物通关单B.出境货物通关单
- 检验检疫：
- R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
- 摘要/Summary：
- 2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%
柿酚 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:6.5
2.氢键供体数量:4
3.氢键受体数量:4
4.可旋转化学键数量:1
5.互变异构体数量:996
6.拓扑分子极性表面积:80.9
7.重原子数量:26
8.表面电荷:0
9.复杂度:453
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
