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二环己烷并-18-冠醚-6

二环己烷并-18-冠醚-6用途

高效的相转移催化剂，多用于氧化、亲核取代、失羧、皂化、聚合及硼氢化钠或氢化铝锂参与的还原反应。

二环己烷并-18-冠醚-6名称

[ CAS 号 ]:
16069-36-6

[ 中文名 ]:
二环己烷并-18-冠醚-6

[ 英文名 ]:
Dicyclohexyl 18-crown-6

[中文别名 ]:

[英文别名 ]:

DCH-18-crown-6
cis-dicyclohexano-18-crown-6
EINECS 240-216-4
MFCD00005099
Dicyclohexano-18-crown 6-Ether
Dicyclohexyl 18-crown-6
Dicyclohexo-18-crown-6
dicyclohexyl-18-crown-6-ether
dicyclohexyl-18-crown-6
dicyclohexano-18-crown-6

二环己烷并-18-冠醚-6物理化学性质

[ 密度 ]:
1.0±0.1 g/cm3

[ 沸点 ]:
508.0±45.0 °C at 760 mmHg

[ 熔点 ]:
47-50 °C

[ 分子式 ]:
C₂₀H₃₆O₆

[ 分子量 ]:
372.496

[ 闪点 ]:
203.8±28.6 °C

[ 精确质量 ]:
372.251190

[ PSA ]:
55.38000

[ LogP ]:
2.28

[ 外观性状 ]:
白色至灰白色粉末

[ 蒸汽压 ]:
0.0±1.3 mmHg at 25°C

[ 折射率 ]:
1.443

[ 储存条件 ]:
2-8°C

[ 水溶解性 ]:
Slightly soluble

二环己烷并-18-冠醚-6MSDS

二环己烷并-18-冠醚-6毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: HP5385000

CHEMICAL NAME :: Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, eicosahydro-

CAS REGISTRY NUMBER :: 16069-36-6

LAST UPDATED :: 199710

DATA ITEMS CITED :: 13

MOLECULAR FORMULA :: C20-H36-O6

MOLECULAR WEIGHT :: 372.56

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 176 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 130 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,408,1989

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 55 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 192 mg/kg

TOXIC EFFECTS :: Behavioral - muscle contraction or spasticity

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(11),72,1987

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 53 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 8,451,1985

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 130 mg/kg

TOXIC EFFECTS :: Behavioral - ataxia Lungs, Thorax, or Respiration - respiratory stimulation

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0571202 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4575 mg/kg/61D-I

TOXIC EFFECTS :: Liver - hepatitis (hepatocellular necrosis), diffuse Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(11),72,1987

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 910 mg/kg/26W-I

TOXIC EFFECTS :: Liver - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(11),72,1987 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 105 mg/kg

SEX/DURATION :: female 1-21 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - other effects to embryo

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 52(11),72,1987

二环己烷并-18-冠醚-6安全信息

[ 危害码 (欧洲) ]:
T:Toxic;

[ 风险声明 (欧洲) ]:
R23/24/25;R36/37/38

[ 安全声明 (欧洲) ]:
S26-S36/37/39-S45-S38-S28A

[ 危险品运输编码 ]:
UN 2811 6.1/PG 3

[ WGK德国 ]:
3

[ RTECS号 ]:
HP5385000

[ 包装等级 ]:
III

[ 危险类别 ]:
6.1

[ 海关编码 ]:
29329995

二环己烷并-18-冠醚-6合成路线

二环己烷并-18-冠醚-6上下游产品

二环己烷并-18-冠醚-6上游产品

二环己烷并-18-冠醚-6下游产品

二环己烷并-18-冠醚-6制备

1.在1升不锈钢高压釜中加入125克(0.347摩尔)二苯并-1一冠一6，500毫升重蒸正丁醇和12.5克5%钉一三氧化二铝催化剂。通氮气冲洗系统三次后，通入氢气至70个大气压。在100℃搅拌下进行氢化，待吸氢量达到理论量(2.08摩尔)为止。冷至室温，排气，过滤，除去催化剂。滤液置于旋转蒸发器中，于减压下90一100℃浓缩，静置固化。将粗品溶于400毫升正庚烷，经7 x 20cm酸洗氧化铝(80-100目，活度I一l级)柱层析，正庚烷淋洗，收集在红外光谱中经基吸收峰出现前的组份。用旋转蒸发器蒸出溶剂，得75一89克(58一69%)白色棱柱形晶体，

2.制法：

于高压反应釜中，加入二苯基-18-冠-6（2）125g（0.347mol），500mL新蒸馏的丁醇-1,125g（5%）的钌-氧化铝催化剂。密闭后以氮气冲洗，再通入氢气。于100℃、0.7MPa压力下进行氢化，直至吸收的氢气达到理论量（2.08mol）。冷却至室温，放空，打开反应釜。滤去催化剂。滤液减压浓缩，剩余物放置后固化。将粗品溶于400mL正庚烷，过酸洗氧化铝柱，以正庚烷洗脱。洗脱后浓缩，得白色棱状结晶二环己基-18-冠-6^①（1）的非对映异构体混合物75～89g，mp38～54℃，收率58%～69%。注：①本品有毒，对眼睛、皮肤有刺激性，使用时应特别注意安全。

二环己烷并-18-冠醚-6海关

[ 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%