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18-冠醚-6

18-冠醚-6用途

用作金属离子络合剂

18-冠醚-6名称

[ CAS 号 ]:
17455-13-9

[ 中文名 ]:
18-冠醚-6

[ 英文名 ]:
18-Crown-6

[中文别名 ]:

[英文别名 ]:

[18]crown-6
EINECS 241-473-5
18-Crown-6
18-Crown 6-Ether
18-crown-6 ether
UNII-63J177NC5B
1,4,7,10,13,16-Hexaoxacyclooctadecane
ethylene oxide cyclic hexamer
1,4,7,10,13,16-Hexanoxacyclooctadecane
18-Crown ether-6

18-冠醚-6物理化学性质

[ 密度 ]:
1.0±0.1 g/cm3

[ 沸点 ]:
395.8±37.0 °C at 760 mmHg

[ 熔点 ]:
42-45 °C(lit.)

[ 分子式 ]:
C₁₂H₂₄O₆

[ 分子量 ]:
264.315

[ 闪点 ]:
163.8±26.4 °C

[ 精确质量 ]:
264.157288

[ PSA ]:
55.38000

[ LogP ]:
-0.81

[ 外观性状 ]:
无色晶体

[ 蒸汽压 ]:
0.0±0.9 mmHg at 25°C

[ 折射率 ]:
1.404

[ 储存条件 ]:
Store at 0-5°C

[ 稳定性 ]:
Stable. Incompatible with strong acids, strong oxidizing agents.

[ 水溶解性 ]:
SOLUBLE

18-冠醚-6MSDS

18-冠醚-6毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MP4500000

CHEMICAL NAME :: 1,4,7,10,13,16-Hexanoxacyclooctadecane

CAS REGISTRY NUMBER :: 17455-13-9

BEILSTEIN REFERENCE NO. :: 1619616

LAST UPDATED :: 199803

DATA ITEMS CITED :: 15

MOLECULAR FORMULA :: C12-H24-O6

MOLECULAR WEIGHT :: 264.36

WISWESSER LINE NOTATION :: T-18-O DO GO JO MO POTJ

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 :: 525 mg/kg

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

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 53(10),92,1988

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >2500 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Gastrointestinal - other changes Liver - other changes

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536187

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 830 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 :: Intratracheal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 56 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Lungs, Thorax, or Respiration - structural or functional change in trachea or bronchi Lungs, Thorax, or Respiration - fibrosis, focal (pneumoconiosis)

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536187

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 540 mg/kg

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

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 53(10),92,1988

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 464 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 :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1 gm/kg

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

REFERENCE :: RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 47,167,1984

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

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3888 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Gastrointestinal - hypermotility, diarrhea Skin and Appendages - dermatitis, other (after systemic exposure)

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0571014

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 59 mg/kg

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

REFERENCE :: GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 53(10),92,1988 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 10 gm/kg/15W-I

TOXIC EFFECTS :: Behavioral - tremor Related to Chronic Data - death Related to Chronic Data - changes in testicular weight

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536187

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 127 mg/kg/14D-I

TOXIC EFFECTS :: Behavioral - tremor Behavioral - changes in motor activity (specific assay) Related to Chronic Data - death

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0536187

18-冠醚-6安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H302

[ 警示性声明 ]:
P301 + P312 + P330

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xn:Harmful;

[ 风险声明 (欧洲) ]:
R20/22;R36

[ 安全声明 (欧洲) ]:
S26-S36-S39

[ 危险品运输编码 ]:
2811

[ WGK德国 ]:
3

[ RTECS号 ]:
MP4500000

[ 包装等级 ]:
III

[ 危险类别 ]:
6.1(b)

[ 海关编码 ]:
2932999099

18-冠醚-6合成路线

18-冠醚-6上下游产品

18-冠醚-6上游产品

18-冠醚-6下游产品

18-冠醚-6制备

1.通常采用威廉林合成法制取，即用醇盐与卤代烷反应。

2.制双(2一氯乙基)醚
在装有搅拌器、回流冷凝器、温度计和滴液漏斗的1升三颈烧瓶中，放置63.7克0.6摩尔)二甘醇、400毫升苯、102.8.克(1 .3摩尔)毗咤，在75℃搅拌下，于1.5小时内滴加155克(1.3摩尔)亚硫酸氯。继续回流12小时，用盐酸酸化至PH=2，分出出有机相，用无水硫酸钠千燥。过滤，蒸去溶剂后减压蒸馏，收集50-52℃/5-8mm的馏分，得76克(86%)双(2一氯乙基)醚，

3. 2.制18一冠一6
装置同上。在3升三颈烧瓶中，放置416克(约6.3摩尔)85%的粒状氢氧化钾、243克(1.25摩尔)四甘醇和1升四氢肤喃，徐徐加热15分钟后，在激烈搅拌下加入447克(3.125摩尔)双(2一氯乙基)醚与150毫升四氢吠喃配成的溶液。在搅拌下继续回流18小时。在减压下蒸出液剂，余下的棕色浆状物加750毫升二氯甲烷稀释。过滤，用100毫升二氯甲烷洗涤固体盐。合并虑液和洗液，加硫酸镁于燥。过滤，在减压下浓缩，然后在氮气存在下减压蒸馏，收集110-120/0.2mm的馏分.

(l).制1，8一二氯一3，6二氧杂辛烷
除用三甘醇代替二甘醇外，其余与制备双(2一氯乙基)醚相同。
(2).制18-冠一6
装置同上。在3升三颈烧瓶中，放置112.5克(102毫升，0.75摩尔)三甘醇和600毫升四氢吠喃，在搅拌下加入60%的氢氧化钾溶液[将109克85%(1.65摩尔)的粒状氢氧化钾溶于70毫升水中」.徐徐加热并激烈搅拌15分钟后，溶液开始变色而逐渐形成深棕色，加140.3克(0.75摩尔)1 ,8一二氯一3，6一二氧杂辛烷的100毫升四氢吠喃溶液，在激烈搅拌下回流18-24小时。冷却，在减压下蒸出大部分溶剂，然后加入500毫升二氯甲烷稀释余下的棕色浆状物.用砂芯漏斗过滤，二氯甲烷洗涤，合并滤液和洗液，加无水硫酸镁干燥。过滤，在减压下浓缩后高真空蒸馏，收集100一167℃/0.2mrn的馏分，主要馏分为含有76一78克(38一44%)18一冠一6的粗产物。通过多次小心蒸馏后重结晶(或升，或层析)，可得纯化产品。纯化在250毫升锥形瓶中，放置50克18一冠一6粗产物100毫升乙精和磁力搅拌棒，然后装上氯化钙于燥管。将混合物搅拌成浆液，在电热板上加热溶解，随后在激烈搅拌下冷却至室温，让细小的白色晶体(冠醚一乙脐络合物)沉降。在冰箱中放置24一28小时后，在一30℃冷浴中静置，使络合物尽可能沉淀完全。在充氨干燥箱或充氮漏斗中快速过滤，用少量冷乙睛洗涤吸湿性结晶，然后转移到一个装有带活塞的导气管和磁力搅拌棒的200毫升园底烧瓶中，在0.1-0.5毫米真空中温热<~35℃)2一3小时，并不时搅拌，以除去络合物中的乙腊.

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%

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