Dicyclohexyl 18-crown-6

Modify Date: 2024-01-05 18:06:58

Dicyclohexyl 18-crown-6 Structure
Dicyclohexyl 18-crown-6 structure
Common Name Dicyclohexyl 18-crown-6
CAS Number 16069-36-6 Molecular Weight 372.496
Density 1.0±0.1 g/cm3 Boiling Point 508.0±45.0 °C at 760 mmHg
Molecular Formula C20H36O6 Melting Point 47-50 °C
MSDS N/A Flash Point 203.8±28.6 °C

 Names

Name Dicyclohexano-18-crown-6
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 508.0±45.0 °C at 760 mmHg
Melting Point 47-50 °C
Molecular Formula C20H36O6
Molecular Weight 372.496
Flash Point 203.8±28.6 °C
Exact Mass 372.251190
PSA 55.38000
LogP 2.28
Vapour Pressure 0.0±1.3 mmHg at 25°C
Index of Refraction 1.443
Storage condition 2-8°C
Water Solubility Slightly soluble

 Toxicological Information

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

 Safety Information

Hazard Codes T:Toxic;
Risk Phrases R23/24/25;R36/37/38
Safety Phrases S26-S36/37/39-S45-S38-S28A
RIDADR UN 2811 6.1/PG 3
WGK Germany 3
RTECS HP5385000
Packaging Group III
Hazard Class 6.1
HS Code 29329995

 Synthetic Route

~%

Dicyclohexyl 18-crown-6 Structure

Dicyclohexyl 18...

CAS#:16069-36-6

Literature: J. Gen. Chem. USSR (Engl. Transl.), , vol. 58, # 6 p. 1309 - 1313,1163 - 1166

~40%

Dicyclohexyl 18-crown-6 Structure

Dicyclohexyl 18...

CAS#:16069-36-6

Literature: Yakshin, V. V.; Zhukova, N. G.; Tsarenko, N. A.; Laskorin, B. N. Doklady Chemistry, 1983 , vol. 273, p. 436 - 438 Dokl. Akad. Nauk SSSR Ser. Khim., 1983 , vol. 273, # 6 p. 1398 - 1400

~%

Dicyclohexyl 18-crown-6 Structure

Dicyclohexyl 18...

CAS#:16069-36-6

Literature: Russian Journal of Organic Chemistry, , vol. 29, # 7.2 p. 1234 - 1236 Zhurnal Organicheskoi Khimii, , vol. 29, # 7 p. 1485 - 1488

~20%

Dicyclohexyl 18-crown-6 Structure

Dicyclohexyl 18...

CAS#:16069-36-6

Literature: Yakshin, V. V.; Zhukova, N. G.; Tsarenko, N. A.; Laskorin, B. N. Doklady Chemistry, 1983 , vol. 273, p. 436 - 438 Dokl. Akad. Nauk SSSR Ser. Khim., 1983 , vol. 273, # 6 p. 1398 - 1400

~10%

Dicyclohexyl 18-crown-6 Structure

Dicyclohexyl 18...

CAS#:16069-36-6

Literature: Yakshin, V. V.; Zhukova, N. G.; Tsarenko, N. A.; Laskorin, B. N. Doklady Chemistry, 1983 , vol. 273, p. 436 - 438 Dokl. Akad. Nauk SSSR Ser. Khim., 1983 , vol. 273, # 6 p. 1398 - 1400

 Customs

HS Code 2932999099
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%

 Synonyms

DCH-18-crown-6
2,3,11,12-dicyclohexano-1,4,7,10,13,16-hexaoxacyclo-octadecane
cis-dicyclohexano-18-crown-6
EINECS 240-216-4
Perhydro-dibenzo-18-crown-6,2,5,8,15,18,21-Hexaoxatricyclo[20.4.0.09.14]hexacosane
Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, eicosahydro-
MFCD00005099
Dicyclohexano-18-crown 6-Ether
Dicyclohexyl 18-crown-6
Dicyclohexo-18-crown-6
dicyclohexyl-18-crown-6-ether
dicyclohexyl-18-crown-6
2,3,11,12-Dicyclohexano-1,4,7,10,13,16-hexaoxacyclooctadecane
Dibenzo[b,k]-1,4,7,10,13,16-hexaoxacyclooctadecin, eicosahydro-
dicyclohexano-18-crown-6
Icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine
Perhydrodibenzo-18-crown-6