Cyclododecane supplier | CasNO.294-62-2

Name
Cyclododecane
EINECS 206-033-9
CAS No. 294-62-2
Article Data125
CAS DataBase
Density 0.791 g/cm³
Solubility 16μg/L at 20℃
Melting Point 59-61 °C
Formula C₁₂H₂₄
Boiling Point 246.999 °C at 760 mmHg
Molecular Weight 168.323
Flash Point 87.585 °C
Transport Information
Appearance white solid
Safety 24/25
Risk Codes R52/53
Molecular Structure
Hazard Symbols R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.;
Synonyms BRN 1901008;
PSA 0.00000
LogP 4.68120

Synthetic route

: 1501-82-2
cyclododecene

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With aluminum oxide; sodium tetrahydroborate; nickel dichloride In hexane at 40℃; Catalytic hydrogenation;	100%
With ethanol; lithium; nickel dichloride; 4,4'-di-tert-butylbiphenyl In tetrahydrofuran at 20℃; for 1h;	99%
With hydrogen; NiCl2-Li-[poly(2-vinyl-naphthalene)-co-(divinylbenzene)] In tetrahydrofuran at 20℃; under 760.051 Torr; for 1h;	99%

: 1-Chloro-2-phenylselanyl-cyclododecane

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With sodium tetrahydroborate; nickel dichloride In tetrahydrofuran; methanol at 0℃; for 0.25h;	100%

: 41320-42-7
O-dodecyl S-methyl carbonodithioate

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); hypophosphorous acid; sodium hydrogencarbonate In ethanol for 0.5h; Heating;	100%

: 4904-61-4
cyclododeca-1,5,9-triene

A: 294-62-2
cyclododecane

B: 1501-82-2
cyclododecene

C: 1502-04-1, 67881-13-4
cyclododeca-1,5-diene

Conditions

Conditions	Yield
With hydrogen at 80 - 160℃; under 760.051 Torr; Reagent/catalyst; Flow reactor;	A 100% B n/a C n/a
With hydrogen; Ru4Sn6/Davison 923 mesoporous silica at 119.84℃; under 22502.3 Torr; for 12h; Product distribution; Further Variations:; reaction times;

...Expand

: 4373-12-0
O-cyclododecyl-S-methyl dithiocarbonate

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With air; trimethylborane; water In benzene at 20℃;	99%
With di-tert-butyl peroxide; Diphenylphosphine oxide In 1,4-dioxane for 16h; Reduction; Heating;	98%
With tris-(trimethylsilyl)silane; 1,1'-azobis(1-cyanocyclohexanenitrile) In water at 100℃; for 4h;	98%

: 706-31-0
(1E,5E,9Z)-cyclododeca-1,5,9-triene

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With hydrogen at 240℃; under 760.051 Torr; Reagent/catalyst; Flow reactor;	99%
With hydrogen In methanol at 20℃; under 760.051 Torr; for 8h; Reagent/catalyst;	> 99 %Chromat.

: 130534-80-4
Thiocarbonic acid O-cyclododecyl ester O-(4-fluoro-phenyl) ester

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With tris-(trimethylsilyl)silane; triethyl borane; oxygen In benzene at 25℃; for 0.166667h; other reagent: diphenylsilane;	98%
With triethyl borane; diphenylsilane; oxygen In hexane; benzene for 0.166667h; Ambient temperature;	96%
With diphenylsilane; triethyl borane; oxygen In benzene at 25℃; for 0.166667h; Product distribution; Mechanism; same reaction of further thiocarbonyl compounds; other reagents (tris(trimethylsilyl)silane); other temp. and reaction times;	96%

: 121410-95-5
O-cyclododecyl O-phenyl thionocarbonate

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With 2,2'-azobis-(2,4-dimethylvaleronitrile); tri-n-butyl-tin hydride In tetrahydrofuran at 70℃; for 3h; Solvent; Time; Barton-McCombie Deoxygenation; Inert atmosphere;	96%
With 2,2'-azobis(isobutyronitrile); (2,6-dimethoxy-1-methylcyclohexa-2,5-dienyl)triisopropylsilane In hexane for 15h; Heating;	92%
With 2,2'-azobis(isobutyronitrile); (2,6-dimethoxy-1-methylcyclohexa-2,5-dienyl)triisopropylsilane In hexane for 15h; Heating;	92%

: 157258-21-4
O-cyclododecyl N-phenyl-thiocarbamate

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); 9,10-dihydro-9,10-dimethyl-9,10-disilaanthracene In benzene for 2h; Heating;	96%
With tris-(trimethylsilyl)silane; 1,1'-azobis(1-cyanocyclohexanenitrile) In water at 100℃; for 4h;	85%
With 2,2'-azobis(isobutyronitrile); tris-(trimethylsilyl)silane In benzene at 80℃; for 0.5h;	95 % Chromat.
With 5,10-dihydro-silanthrene; ABIN In toluene at 80℃; for 2h;	32 % Chromat.
With 2,2'-azobis(isobutyronitrile); tris-(trimethylsilyl)silane In benzene at 80℃; for 0.5h; Mechanism; deoxygenation of various thioxocarbamate der. with variation of reagent and temp.;	95 % Chromat.

: 1486-75-5
(E)-Cyclododecen

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With naphthalene; water-d2; lithium; nickel dichloride In tetrahydrofuran Ambient temperature;	93%

: 1-cyclododecyloxymethylpyrrolidin-2-one

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With 2,2-bis(tert-butylperoxy)butane; tri-tert-butoxysilanethiol In octane for 3h; Heating;	93%

: 830-13-7
cyclododecanone

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With triethylsilane; 2C2H3F3O*BF3 In dichloromethane at 20℃; for 2.5h;	92%
With hydrogenchloride; amalgamated zinc at 155℃;

: 97-94-9
triethyl borane

: 4373-12-0
O-cyclododecyl-S-methyl dithiocarbonate

A: 10596-55-1
S-Ethyl S'-methyl dithiocarbonate

B: 294-62-2
cyclododecane

C: 1501-82-2
cyclododecene

D: 88011-88-5
1,1'-bicyclododecane

E: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With air In hexane Product distribution; Mechanism; Ambient temperature; variation of temperature; other thiocarbonyl derivatives;	A 91% B 62% C 12% D 9% E 4%

...Expand

: Acetyl-thiocarbamic acid O-cyclododecyl ester

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With triethyl borane; HSiPh3 In benzene for 0.166667h; Ambient temperature;	91%

: 121282-62-0
cyclododecyl isocyanide

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With perhydrodibenzo-18-crown-6; potassium; toluene Ambient temperature;	90%

: O-cyclododecyl 1H-imidazole-1-carbothioate

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With tris-(trimethylsilyl)silane; 1,1'-azobis(1-cyanocyclohexanenitrile) In water at 100℃; for 4h;	90%
With 5,10-dihydro-silanthrene; ABIN In toluene at 80℃; for 2h;	46 % Chromat.

: 3-cyclododecyloxymethyloxazolidin-2-one

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With 2,2-bis(tert-butylperoxy)butane; tri-tert-butoxysilanethiol In octane for 3h; Heating;	90%

: 6221-92-7
cyclododecyl acetate

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With di-tert-butyl peroxide; (4-diphenylsilylphenyl)diphenylsilane at 140℃; for 15h;	89%
With di-tert-butyl peroxide; (4-diphenylsilylphenyl)diphenylsilane at 140℃; for 15h; Product distribution; alcohol deoxygenation via acetate; reaction with Ph3SiH;	89%
With di-tert-butyl peroxide; diphenylsilane at 140℃; for 20h;	75 % Chromat.

: 109275-15-2
2-Cyclododecylsulfanyl-benzothiazole

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With tri-n-butyl-tin hydride; 2,2'-azobis(isobutyronitrile) In benzene for 14h; Heating;	89%

: 4728-87-4
1,3,7,9-cyclododecatetrayne

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With hydrogen; platinum In ethyl acetate at 20℃; for 12h;	86%

: 1129-89-1
cis-cyclododecene

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With magnesium; palladium on activated charcoal In methanol Ambient temperature;	85%
With hydrogen; alkylated polyethyleneimine; palladium In water at 80℃; under 1500.12 Torr; for 5h;

: 7795-35-9
cyclododecyl bromide

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With water; zinc In acetonitrile at 80℃; for 4h; Sealed tube; Inert atmosphere;	84%
With N,N,N,N,N,N-hexamethylphosphoric triamide; samarium diiodide; isopropyl alcohol In tetrahydrofuran for 0.166667h; Ambient temperature; Yield given;
With zinc; cob(I)alamin In water; acetic acid for 93h; Ambient temperature; Yield given;

: 6221-92-7
cyclododecyl acetate

: 789-25-3
HSiPh3

A: 294-62-2
cyclododecane

B: 1929-33-5
triphenylsilyl acetate

Conditions

Conditions	Yield
With di-tert-butyl peroxide at 140℃; for 12h;	A 82% B n/a

...Expand

: 943-93-1
1,2-epoxy-5,9-cyclododecadiene

A: 294-62-2
cyclododecane

B: 1724-39-6
cyclododecanol

C: 830-13-7
cyclododecanone

D: 286-99-7
1,2-epoxycyclododecane

Conditions

Conditions	Yield
With hydrogen; palladium on silica gel at 160 - 175℃; under 2205.22 - 6615.66 Torr; for 2 - 5h;	A 0.2% B 0.9% C 81.6% D 10.6%
With hydrogen; Pd/silica-alumina at 160℃; under 6615.66 Torr; for 2h;	A 0.3% B 2.4% C 70.7% D 25.5%
With hydrogen; 5 wt percent Pd/zeolite at 160℃; under 6615.66 Torr; for 2h;	A 0.5% B 1.8% C 69.4% D 27.5%

...Expand

: 76733-12-5
Hexanoic acid cyclododecyl ester

: 789-25-3
HSiPh3

A: 294-62-2
cyclododecane

B: C24H26O2Si

Conditions

Conditions	Yield
With di-tert-butyl peroxide at 140℃; for 12h;	A 81% B n/a

...Expand

cyclododecyl methyl xanthate: cyclododecyl methyl xanthate

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With diphenylsilane; triethyl borane; oxygen In benzene at 25℃; for 0.166667h;	81%

: N-4-fluorophenylthioxocarbamate of cyclododecanol

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tris-(trimethylsilyl)silane In benzene at 80℃;	76%

: 42604-12-6
cyclododecyl methoxymethyl ether

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With 2,2-bis(tert-butylperoxy)butane; tri-tert-butoxysilanethiol In octane for 3h; Heating;	74%

: 94473-30-0
cyclododecyl p-nitrophenyl selenide

: 294-62-2
cyclododecane

Conditions

Conditions	Yield
With sodium tetrahydroborate; nickel dichloride In tetrahydrofuran; methanol at 0℃; for 0.25h;	71%

: 706-31-0
(1E,5E,9Z)-cyclododeca-1,5,9-triene

A: 294-62-2
cyclododecane

B: 1501-82-2
cyclododecene

Conditions

Conditions	Yield
With hydrogen at 240℃; under 760.051 Torr; Reagent/catalyst; Flow reactor;	A 71% B 26%

: 294-62-2
cyclododecane

: 34039-83-3
chlorocyclododecane

Conditions

Conditions	Yield
With N-chloro-succinimide; benzophenone In acetonitrile at 27℃; for 24h; Reagent/catalyst; Irradiation; regioselective reaction;	95%
With tetrachloromethane at 250℃; for 7h; Inert atmosphere; Autoclave;	35%
With methanol; tetrachloromethane; molybdenum hexacarbonyl at 170℃; for 1h; Temperature; Time; Sealed tube;

: 1196-57-2
quinoxalin-2(1)-one

: 294-62-2
cyclododecane

: 3-cyclododecylquinoxalin-2(1H)-one

Conditions

Conditions	Yield
With di-tert-butyl peroxide In 1,2-dichloro-ethane at 130℃; for 4h; Sealed tube;	93%

: 294-62-2
cyclododecane

: 1078-28-0
6-methoxyquinaldine

: 4-cyclododecyl-6-methoxy-2-methylquinoline

Conditions

Conditions	Yield
With trifluoroacetic acid; dibenzoyl peroxide In 1,2-dichloro-ethane at 100℃; for 4h; Inert atmosphere;	92%

: 294-62-2
cyclododecane

A: 13474-06-1
cyclododecane-1,7-diol

B: 14435-21-3
1,6-cyclododecanediol

Conditions

Conditions	Yield
With cytochrome P450 enzyme CYP101B1 In aq. buffer pH=7.4; Kinetics; Reagent/catalyst; Enzymatic reaction;	A 92% B n/a

: 491-35-0
C6H4NCH2CHCCH2

: 294-62-2
cyclododecane

: 2-cyclododecyl-4-methylquinoline

Conditions

Conditions	Yield
With hydrogenchloride; Selectfluor In water; acetone at 20℃; for 16h; Inert atmosphere; Irradiation;	90%
With trifluoroacetic acid; dibenzoyl peroxide In 1,2-dichloro-ethane at 100℃; for 4h; Inert atmosphere;	78%

: 294-62-2
cyclododecane

: 38857-88-4
bis(2,2,2-trichlorethyl)azodicarboxylate

: 1407999-64-7
C18H28Cl6N2O4

Conditions

Conditions	Yield
With N-hydroxyphthalimide In 1,2-dichloro-ethane at 20 - 80℃; for 5h; Inert atmosphere; chemoselective reaction;	87%

: 612-62-4
2-Chloroquinoline

: 294-62-2
cyclododecane

: 2-chloro-4-cyclododecylquinoline

Conditions

Conditions	Yield
With 2,2,2-trifluoroethanol; bis-[(trifluoroacetoxy)iodo]benzene In dichloromethane at 20℃; for 17h; Reagent/catalyst; Minisci Aromatic Substitution; Inert atmosphere; Irradiation; Green chemistry;	86%

: 103-82-2
phenylacetic acid

: 294-62-2
cyclododecane

: 42463-71-8
cyclododecyl 2-phenylacetate

Conditions

Conditions	Yield
With 2,2,6,6-tetramethylpiperidinium triflate In neat liquid at 120℃; for 12h; Reagent/catalyst; Green chemistry;	85%

: 294-62-2
cyclododecane

: 106-45-6
para-thiocresol

: (cyclododecyl)(4-methylphenyl)sulfide

Conditions

Conditions	Yield
With N-Bromosuccinimide; di-tert-butyl peroxide; Bathocuproine; nickel(II) acetate tetrahydrate In fluorobenzene at 140℃; for 24h; Inert atmosphere;	85%
With di-tert-butyl peroxide; Bathocuproine; nickel(II) acetate tetrahydrate at 140℃; for 24h; Inert atmosphere; Schlenk technique;	82%

Cyclododecane Specification

The Cyclododecane has the CAS registry number 294-62-2. Its EINECS number is 206-033-9. This chemical's molecular formula is C₁₂H₂₄ and molecular weight is 168.32. What's more, its systematic name is cyclododecane. It is used as compound semiconductors, polymerization catalysts, or in organic synthesis. It is also used as an intermediate in production of flame retardants, detergents, and other chemicals.

Physical properties of Cyclododecane are: (1)ACD/LogP: 6.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.325; (4)ACD/LogD (pH 7.4): 6.325; (5)ACD/BCF (pH 5.5): 37762.496; (6)ACD/BCF (pH 7.4): 37762.496; (7)ACD/KOC (pH 5.5): 65742.078; (8)ACD/KOC (pH 7.4): 65742.078; (9)Index of Refraction: 1.433; (10)Molar Refractivity: 55.341 cm³; (11)Molar Volume: 212.883 cm³; (12)Polarizability: 21.939×10^-24cm³; (13)Surface Tension: 25.952 dyne/cm; (14)Density: 0.791 g/cm³; (15)Flash Point: 87.585 °C; (16)Enthalpy of Vaporization: 46.454 kJ/mol; (17)Boiling Point: 246.999 °C at 760 mmHg; (18)Vapour Pressure: 0.041 mmHg at 25°C.

Preparation of Cyclododecane: this chemical can be prepared by cyclododecene at the temperature of 40 °C. This reaction will need reagents sodium borohydride, moist Al₂O₃ and solvent hexane. This reaction will also need catalyst NiCl₂·6H₂O. The yield is about 100%.

Cyclododecane can be prepared by cyclododecene at the temperature of 40 °C

Uses of Cyclododecane: it can be used to produce 1-cyclododecyl-propane-1,2-dione 1-oxime at the temperature of 60 °C. It will need reagent di-t-butyl peroxalate with the reaction time of 12 hours. The yield is about 40%.

Cyclododecane can be used to produce 1-cyclododecyl-propane-1,2-dione 1-oxime at the temperature of 60 °C

You can still convert the following datas into molecular structure:
(1)SMILES: C1CCCCCCCCCCC1
(2)Std. InChI: InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2
(3)Std. InChIKey: DDTBPAQBQHZRDW-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	subcutaneous	> 10gm/kg (10000mg/kg)		Toho Igakkai Zasshi. Journal of Medical Society of Toho University. Vol. 20(5/6), Pg. 772, 1973.

Product Name

Cyclododecane

Synthetic route

Cyclododecane Specification

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