CAS 16069-36-6 Dicyclohexano-18-crown-6 (HCID 85955)

名称と識別子

優先名称: Dicyclohexano-18-crown-6
IUPAC: 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
現地名: ジシクロヘキサノ-18-クラウン6-エーテル
英語名: Dicyclohexano-18-crown-6
分子式: C20H36O6
分子量: 372.5

名称と別名

Dicyclohexano-18-crown-616069-36-6Dicyclohexyl-18-crown-6Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, eicosahydro-DTXSID30884870Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, eicosahydro-RefChem:586878DTXCID401024291240-216-4Icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecinecis-Dicyclohexano-18-crown-6Perhydrodibenzo-18-crown-6

名称をさらに表示

ジシクロヘキサノ-18-クラウン6-エーテル1,2,3,4,4a,6,7,9,10,11a,12,13,14,15,15a,17,18,20,21,22a-イコサヒドロ-5,8,11,16,19,22-ヘキサオキサジベンゾ[a,j]シクロオクタデセンジシクロヘキシル-18-クラウン-61,1'-(1,4,7-トリオキサヘプタン-1,7-ジイル)-2,2'-(1,4,7-トリオキサヘプタン-1,7-ジイル)ビスシクロヘキサンイコサヒドロジベンゾ[b,k][1,4,7,10,13,16]ヘキサオキサシクロオクタデシンイコサヒドロ-5,8,11,16,19,22-ヘキサオキサジベンゾ[a,j]シクロオクタデセン1,2-[1,2-シクロヘキサンジイルビス(オキシエチレンオキシエチレンオキシ)]シクロヘキサン1,2-[1,2-シクロヘキサンジイルビス(1,4,7-トリオキサ-1,7-ヘプタンジイル)]シクロヘキサン2,2'-[オキシビス(エチレンオキシ)][1,1'-[オキシビス(エチレンオキシ)]ビスシクロヘキサン]2,3:11,12-ジブタノ-1,4,7,10,13,16-ヘキサオキサシクロオクタデカンジシクロヘキサノ-18-クラウン-62,5,8,15,18,21-ヘキサオキサトリシクロ[20.4.0.09,14]ヘキサコサン1,2,3,4,4a,6,7,9,10,11a,12,13,14,15,15a,17,18,20,21,22a-イコサヒドロジベンゾ[b,k][1,4,7,10,13,16]ヘキサオキサシクロオクタデシンシス-ジシクロヘキサノ-18-クラウン-6CIS-ジシクロヘキサノ-18-クラウン-6CIS‐ジシクロヘキサノ‐18‐クラウン‐62,2′-[オキシビス(エチレンオキシ)][1,1′-[オキシビス(エチレンオキシ)]ビスシクロヘキサン]ジシクロヘキサノ[18]クラウン-6(4aβ,11aβ,15aβ,22aβ)-イコサヒドロジベンゾ[b,k][1,4,7,10,13,16]ヘキサオキサシクロオクタデシン1,2′-[オキシビス(エチレンオキシ)]-2,1′-[オキシビス(エチレンオキシ)]ビス[(1R,2S)-シクロヘキサン]d2-06mixtureisomeresPERHYDRO-DIBENZO-18-CROWN-6CIS-DICYCLOHEXYL-18-CROWN-6Dicyclohexano-18-crown-6 98%Dicyclohexano-18-crown-6 ,98%

Dicyclohexo-18-crown-6DCH-18-crown-6Dicyclohexyl-18-crown-6 etherDicyclohexyl 18-crown-6Dicyclohexano-18-crown-6-etherMFCD00005099NSC 252171Dicyclohexano-18-crown 6-Ether

データベース識別子

CAS: 16069-36-6
PubChem CID: 85955
DTXSID: DTXSID30884870
ChEMBL: CHEMBL155379
EC Number: 240-216-4
Nikkaji: J149.875D

物性

構造計算による物性

XLogP: 1.8
極性表面積: 55.4 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 0
重原子数: 26
形式電荷: 0
複雑度: 300

実験および物理化学的性質

Chemical ClassesOther Classes -> Other Organic Compounds

Boiling Point344 °C @760 [mm Hg]

Physical DescriptionWhite odorless crystalline powder; Hygroscopic; [Alfa Aesar MSDS]

物理化学的性質

融点: 47 · 47-50 °C
沸点: 344 °C · 344°C
比重(密度): 1.102 g/cm · 1.102 g/cm
屈折率: 1.4909 · 1.4909
闪点: 113 °C · 113 °C
貯蔵温度: 30 °C · Store below +30°C.
外見: 結晶性固体
色: 白～ややベージュ
水溶解度: わずかに溶ける
Merck: 14 · 14,2602
BRN: 1130529 · 1130529
InChI: 1S/C20H36O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h17-20H,1-16H2
InChIKey: BBGKDYHZQOSNMU-UHFFFAOYSA-N
SMILES: C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1
CAS データベース: 16069 · 16069-36-6(CAS DataBase Reference)
NISTの化学物質情報: -18 · Dicyclohexano-18-crown-6(16069-36-6)
EPAの化学物質情報: 1 · Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, eicosahydro- (16069-36-6)

化学的性質

化学的特性White solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationChemical: Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, eicosahydro-

Hazards Summary · 1 件

A mild skin and moderate eye irritant; Causes ataxia and respiratory stimulation in dermal lethal-dose studies of rabbits; Causes convulsions and lung changes in oral lethal-dose studies of rats; Causes diffuse hepatitis and changes in bone marrow in 61-day intermittent oral studies of rats; Causes liver changes, kidney changes and effects on testes, epididymis, and sperm duct in 182-day oral studies of rats; [RTECS] A strong eye irritant; Toxic by ingestion and skin absorption; [Alfa Aesar MSDS] See 18-Crown-6.

Hazard Classes and CategoriesAcute Tox. 3 (97.9%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

0.53 [mg/m3]

5.8 [mg/m3]

35 [mg/m3]

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin

安全データ

F: 3-9
wgk: 3
tsca: TSCA listed
rtecs: HP5385000
ridadr: UN 2811 6.1/PG 3
毒性: LD50 orally in Rabbit: 176 mg/kg
hs_code: 29329995
risk_code: 23/24/25-36/37/38-20/21/22-36/38-22
hazard_code: T,Xn
safety_code: 26-36/37/39-45-38-28A-36
hazard_class: 6.1
packing_group: III
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

General Manufacturing InformationDibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, eicosahydro-: ACTIVE

応用分野 · 2 件

用途有機合成用。

使用Dicyclohexano is used as an anion activator and complexing agent which solubilizes alkali metal ions in non-polar solvents. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs etc,.

調製方法 · 1 件

純化方法Purify it by chromatography on neutral alumina and eluting with an ether/hexane mixture [see Izatt et al. Inorg Chem 14 3132 1975]. Dissolve it in ether at ca 40o, and spectroscopic grade MeCN is added to the solution, which is then chilled. The crown ether precipitates and is filtered off. It is dried in vacuo at room temperature [Wallace J Phys Chem 89 1357 1985]. [V.gtle ed. Top Corr Chem (Host Guest Complex Chemistry) 98 1981.] SKIN IRRITANT.