根卡地尔
- 中文名称：
- 根卡地尔
- 中文别名：
- 根卡地尔;
2,2,9,9-tetramethyldecane-1,10-diol
- 英文名称：
- 1,10-Decanediol,2,2,9,9-tetramethyl-
- 英文别名：
- 2,2,9,9-tetramethyldecane-1,10-diol;
Gemcadiol;
2,2,9,9-tetramethyl-decane-1,10-diol;
2,2,9,9-Tetramethyl-1,10-decanediol;
CI-720;
2,2,9,9-Tetramethyl-1,10-decandiol;
2,2,9,9-Tetramethyl-decan-1,10-diol
- CAS No.：
- 35449-36-6
- 分 子 式：
-
C14H30O2
- 分 子 量：
- 230.44
- 精确分子量：
- 230.22500
- PSA：
- 40.46000
- InChI：
- The Key: DJKWDKJYFYUEBQ-UHFFFAOYSA-N3
- 安全术语：
- Moderately toxic by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits acrid smoke and irritating fumes.
- 分子结构式：
-
- SDS：
- 查看
根卡地尔 物化性质
- 密度：
- 0.904g/cm3
- 沸点：
- 319.3ºC at 760mmHg
- 闪点：
- 136.7ºC
- 折射率：
- 1.461
根卡地尔 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- HD8452000
- CHEMICAL NAME :
- 1,10-Decanediol, 2,2,9,9-tetramethyl-
- CAS REGISTRY NUMBER :
- 35449-36-6
- BEILSTEIN REFERENCE NO. :
- 1748265
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C14-H30-O2
- MOLECULAR WEIGHT :
- 230.44
- WISWESSER LINE NOTATION :
- Q1X1&1&6X1&1&1Q
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1023 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
Behavioral - ataxia
Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year:
6,520,1986
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EPXXDW European Patent Application. (U.S. Patent and Trademark Office,
Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0064286
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1023 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
Behavioral - ataxia
Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year:
6,520,1986
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 10920 mg/kg/52W-C
- TOXIC EFFECTS :
- Blood - pigmented or nucleated red blood cells
Blood - other changes
Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - phosphatases
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year:
6,520,1986
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 109 gm/kg/52W-I
- TOXIC EFFECTS :
- Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - other transferases
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year:
6,520,1986
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 2 gm/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year:
6,520,1986
根卡地尔 海关数据
中国海关编码：2905399090
- 概述：
- 2905399090 其他二元醇。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, 包装
- 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：
- 2905399090 other diols。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%
根卡地尔 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）:4.1
2.氢键供体数量:2
3.氢键受体数量:2
4.可旋转化学键数量:9
5.互变异构体数量:无
6.拓扑分子极性表面积:40.5
7.重原子数量:16
8.表面电荷:0
9.复杂度:154
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
