Icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin

Dicyclohexano-18-crown-6

HCID 85955CAS 16069-36-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: C1CCC2OCCOCCOC3CCCCC3OCCOCCOC2C1
InChIKey: BBGKDYHZQOSNMU-UHFFFAOYSA-N
Summenformel: C20H36O6
Durchschnittliche Molmasse: 372,5 g/mol
Monoisotopische Masse: 372,25118887

Namen und Bezeichner

Bevorzugter Name: Dicyclohexano-18-crown-6
IUPAC: 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosane
Lokaler Name: Icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin
Englischer Name: Dicyclohexano-18-crown-6
Summenformel: C20H36O6
Molmasse: 372.5

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 55,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 0
Schwere Atome: 26
Formalladung: 0
Komplexität: 300

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Organic Compounds

Boiling Point344 °C @760 [mm Hg]

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

Physikochemische Eigenschaften

Schmelzpunkt: 47 · 47-50 °C
Siedepunkt: 344 °C · 344°C
Dichte: 1.102 g/cm · 1.102 g/cm
Brechungsindex: 1.4909 · 1.4909
Flammpunkt: 113 °C · 113 °C
storage temp.: 30 °C · Store below +30°C.
Aggregatzustand: Crystalline Solid
Farbe: White to slightly beige
Wasserlöslichkeit: Slightly soluble
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 Datenbank: 16069 · 16069-36-6(CAS DataBase Reference)
NIST chemische Informationen: -18 · Dicyclohexano-18-crown-6(16069-36-6)
EPA chemische Informationen: 1 · Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, eicosahydro- (16069-36-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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

Hazards Summary · 1 Eintrag

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%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

0.53 [mg/m3]

5.8 [mg/m3]

35 [mg/m3]

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Sicherheitsdaten

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

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen · 1 Eintrag

VerwendenDicyclohexano 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,.