Cyclododecanone supplier | CasNO.830-13-7

Name
Cyclododecanone
EINECS 212-595-6
CAS No. 830-13-7
Article Data250
CAS DataBase
Density 0.87 g/cm³
Solubility Insoluble in water
Melting Point 59-61 °C(lit.)
Formula C₁₂H₂₂O
Boiling Point 261.3 °C at 760 mmHg
Molecular Weight 182.306
Flash Point 108.8 °C
Transport Information UN 3077 9/PG 3
Appearance colourless to white adhering crystals
Safety 60-61
Risk Codes 51/53
Molecular Structure
Hazard Symbols N
Synonyms NSC 77116;Cyclododecan-1-one;
PSA 17.07000
LogP 3.86020

Synthetic route

: 1724-39-6
cyclododecanol

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With bis-trimethylsilanyl peroxide; dipyridinium dichromate In dichloromethane at 25℃;	100%
With tert.-butylhydroperoxide; dimesityl diselenide In benzene for 4h; Heating;	100%
With bis-trimethylsilanyl peroxide; dipyridinium dichromate In dichloromethane for 0.5h;	100%

: 65763-18-0
cis,trans-4,8-cyclododecadien-1-one

: 65763-17-9
trans,cis-4,8-cyclododecadien-1-one

: 110307-32-9
trans,trans-cyclododeca-4,8-dienone

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With hydrogen; 5%-palladium/activated carbon In methanol at 60 - 70℃; under 7500.75 Torr; for 24h;	99.5%
With hydrogen; palladium 10% on activated carbon at 50℃; under 3750.38 Torr; for 10h;	98%

...Expand

: 70015-94-0
1,4-oxathiaspiro<4.11>hexadecane

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With eosin Y disodium salt In acetonitrile at 20℃; for 3h; Irradiation;	99%
With perchloric acid; dihydrogen peroxide; ammonium bromide; molybdic acid In dichloromethane at 0 - 5℃; for 4h;	96%
Stage #1: 1,4-oxathiaspiro<4.11>hexadecane With acetyl chloride; sodium nitrite In dichloromethane at 0 - 5℃; for 0.25h; Stage #2: With water In dichloromethane at 0 - 20℃; for 0.166667h;	95%

: 2986-54-1
Cyclododecyl methyl ether

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With Oxone; potassium bromide In acetonitrile at 0 - 30℃; for 24h; Darkness; Green chemistry;	99%
With silica gel; Nitrogen dioxide In tetrachloromethane for 0.5h; Ambient temperature;	88%
With silica gel; Nitrogen dioxide In tetrachloromethane for 0.5h; Product distribution; Mechanism; Ambient temperature; var. ethers;	88%

: 1616490-83-5
C19H29BrO

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With Oxone; potassium bromide In acetonitrile at 0 - 30℃; for 24h; Darkness; Green chemistry;	99%

: 42858-38-8
(E)/(Z)-cyclododec-2-enone

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With enone reductase from Sporidiobolus salmonicolor TPU 2001; NADH In aq. phosphate buffer at 30℃; for 1h; pH=7; Kinetics; Enzymatic reaction;	98.8%

: 42858-38-8
(E)-cyclododec-2-enone

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With triethyl borane; triphenylstannane In hexane; benzene at 25℃; for 6h;	98%
With triethyl borane; triphenylstannane In hexane; benzene at 25℃; for 6h; other substrates;	98%

: 24459-40-3
2,12-dibromocyclododecanone

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With chloro-trimethyl-silane; sodium iodide In acetonitrile for 12h; Ambient temperature;	98%

: 14990-47-7
cyclododecanone semicarbazone

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
Amberlyst 15 In water; acetone at 80℃; for 15h;	98%

: 85895-36-9
1,1-bis(phenylthio)cyclododecanone

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid In dichloromethane for 1h; Ambient temperature;	98%

: 286-99-7
1,2-epoxycyclododecane

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With polyethylene glycol-400; lithium bromide at 194℃; for 4h;	98%
With Pd/ZrO2 at 220 - 230℃;	98%
In nitrogen; toluene	94%

: 650-06-6
cyclododecanone ethylene acetal

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With iodine In acetone at 56℃; for 5h;	97%
palladium (II) ion In acetone for 1h; Ambient temperature;	96 % Chromat.

: 160036-85-1
{(E)-3-[1-(2-Methoxy-ethoxymethoxy)-cyclododecyl]-propenyl}-trimethyl-silane

A: 830-13-7
cyclododecanone

B: 1-Oxa-spiro[5.11]heptadec-3-ene

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane at -78℃; for 0.5h;	A 97% B 2%

: 60719-91-7
1,5-dithiaspiro<5.11>heptadecane

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With iron(III)-acetylacetonate; dihydrogen peroxide; sodium iodide In water; ethyl acetate at 20℃; for 2.8h;	97%
Stage #1: 1,5-dithiaspiro<5.11>heptadecane With trichloroisocyanuric acid; silica gel at 20℃; for 0.05h; Stage #2: With water at 20℃;	89%
With dihydrogen peroxide; tantalum pentachloride; sodium iodide In water; ethyl acetate at 20℃; for 5h;	89%

: 1502-29-0
cis-1,2-epoxycyclododecane

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With lithium iodide at 140℃; for 3h;	96%

: 1781-70-0
nitrocyclododecane

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With dihydrogen peroxide; potassium carbonate 1.) MeOH, 0 deg C, H2O 2.) 8h, room temp.;	96%
With potassium permanganate; sodium hydride; magnesium sulfate; tert-butyl alcohol 1.) pentane, 20 min, 2.) water, 10 min; Yield given. Multistep reaction;

: 31236-94-9
2-bromocyclododecan-1-one

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With tetrahydrofuran; chromium chloride; lithium aluminium tetrahydride In tetrahydrofuran for 3.5h; Ambient temperature;	96%
With DMBI In 1,4-dioxane for 52h; Heating;	95%

: 88358-52-5
2-(tert-Butyl-dimethyl-silanyloxy)-3-methyl-1-oxa-4-thia-2-aza-spiro[4.11]hexadecane

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran	96%

: 1207858-28-3
C18H34N2O

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With selenium(IV) oxide; dihydrogen peroxide In methanol at 20℃; pH=7; aq. phosphate buffer;	96%

: 104151-45-3
2-(1-Hydroxy-cyclododecyl)-3-methyl-benzothiazol-3-ium; iodide

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With potassium carbonate In hexane at 60℃; for 2h;	95%

: 115663-67-7
1,1-Bis-ethylsulfanyl-cyclododecane

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid In dichloromethane for 1h; Ambient temperature;	95%
Stage #1: 1,1-Bis-ethylsulfanyl-cyclododecane With acetyl chloride; sodium nitrite In dichloromethane at 0 - 5℃; for 0.25h; Stage #2: With water In dichloromethane at 0 - 20℃; for 0.5h;	78%
With cetyl(trimethyl)-ammonium tribromide In dichloromethane at 0 - 5℃; for 0.25h;	75%

: 78804-10-1
cyclododecanone dimethylhydrazone

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With sodium perborate; sodium hydroxide; potassium dihydrogenphosphate; water In tert-butyl alcohol at 60℃; for 12h;	95%

: 946-89-4
cyclododecanone oxime

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With ammonium peroxydisulfate; Montmorillonite K10; silver nitrate In hexane at 50℃; for 2.5h;	95%
With silica gel; chromic acid In dichloromethane	93%
With L-alanin; silica gel; chlorochromic acid In dichloromethane at 20℃; for 5h;	90%

: 121758-10-9
(phenylmethoxy)cyclododecane

A: 100-52-7
benzaldehyde

B: 830-13-7
cyclododecanone

C: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With Oxone; potassium bromide In acetonitrile at 0 - 30℃; for 24.5h; Solvent; Temperature; Reagent/catalyst; Darkness; Green chemistry;	A 21% B 95% C 33%

...Expand

: 42858-37-7
2-(phenylseleno)cyclododecan-1-one

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With sodium tetrahydroborate; nickel dichloride In tetrahydrofuran; methanol at 0℃; for 0.25h;	93%

: 3552-02-1
N'-cyclododecylidene-4-methylbenzenesulfonohydrazide

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
Envirocat EPZG In water; acetone at 80℃; for 3h;	93%
With 1-methyl-1H-imidazole; oxygen; pivalaldehyde; (NMe4)2[Ni(Me2opba)]*4H2O In fluorobenzene at 20℃; for 24h; Oxidation;	82%

: 69381-33-5
α-iodocyclododecanone

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With diphosphorus tetraiodide In dichloromethane at 25℃; for 1h;	92%

: 907-99-3
Cyclododecanone 2,4-Dinitrophenylhydrazone

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
Amberlyst 15 In water; acetone at 80℃; for 5h;	92%

: 957-17-5
Cyclododecanone diethyl acetal

: 830-13-7
cyclododecanone

Conditions

Conditions	Yield
With calcium chloride In 1,4-dioxane; water at 19.85 - 179.85℃; under 7575.61 Torr; for 0.666667h;	92%

: 830-13-7
cyclododecanone

: 1724-39-6
cyclododecanol

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; sodium cyanoborohydride In tetrahydrofuran at 65℃; for 11h;	100%
With aluminum oxide; sodium tetrahydroborate In hexane at 60℃; for 3h;	98%
With tricarbonyl(η4-1,3-bis(trimethylsilyl)-4,5,6,7-tetrahydro-2H-inden-2-one)iron; hydrogen; potassium carbonate In water; isopropyl alcohol at 100℃; under 22502.3 Torr; for 17h; Inert atmosphere;	98%

: 7677-24-9
trimethylsilyl cyanide

: 830-13-7
cyclododecanone

: 50361-51-8
1-trimethylsilyloxy-1-cyclododecanecarbonitrile

Conditions

Conditions	Yield
With zinc(II) iodide	100%
With lithium perchlorate; tetraethylammonium perchlorate In dichloromethane Ambient temperature; electrolysis: 0.28 F/mol;	95%
With n-butyllithium In tetrahydrofuran; hexane for 2h; Ambient temperature;	90.6%
With zinc(II) iodide

: 50-00-0
formaldehyd

: 830-13-7
cyclododecanone

: 3045-76-9
2-methylenecyclododecanone

Conditions

Conditions	Yield
With N-methylanilinium trifluoroacetate In 1,4-dioxane at 100℃; for 4h;	100%
With N-methylanilinium trifluoroacetate In 1,4-dioxane for 4.5h; Heating;	48%

: 50635-71-7, 50635-72-8, 31350-93-3
1-chloroethyl p-tolyl sulfoxide

: 830-13-7
cyclododecanone

: 159763-15-2
1-<1-chloro-1-(p-tolylsulfinyl)ethyl>-1-cyclododecanol

Conditions

Conditions	Yield
at -70℃;	100%
With n-butyllithium; diisopropylamine In tetrahydrofuran at -65℃; for 0.416667h;	85%

: 830-13-7
cyclododecanone

: 946-89-4
cyclododecanone oxime

Conditions

Conditions	Yield
With pyridine; hydroxylamine hydrochloride In ethanol at 90 - 100℃; for 2h;	100%
With hydroxylamine hydrochloride; sodium acetate In ethanol; water Reflux;	99%
With ammonium chloride; Amberlyst A-21 In ethanol for 1h; Ambient temperature;	96%

: 830-13-7
cyclododecanone

: 35951-28-1
2-chlorocyclododecanone

Conditions

Conditions	Yield
Stage #1: cyclododecanone With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: With methyl chlorosulfate In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere;	100%
With p-toluenesulfonyl chloride; lithium diisopropyl amide In tetrahydrofuran -78 deg C to room t.;	83%
With [bis(acetoxy)iodo]benzene; iron(III) chloride hexahydrate In acetic acid at 20℃; for 18h; Inert atmosphere;	79%

: 830-13-7
cyclododecanone

: 1576-35-8
toluene-4-sulfonic acid hydrazide

: 3552-02-1
N'-cyclododecylidene-4-methylbenzenesulfonohydrazide

Conditions

Conditions	Yield
In ethanol at 100℃; for 1h;	100%
In ethanol at 100℃; for 1.66667h; Inert atmosphere;	100%
In methanol at 20℃; Schlenk technique;	100%

: 830-13-7
cyclododecanone

: 149-73-5
trimethyl orthoformate

: 2-dimethoxymethyl-cyclododecanone

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; N-ethyl-N,N-diisopropylamine In dichloromethane at -78℃; for 2h;	100%

: 79-19-6
thiosemicarbazide

: 830-13-7
cyclododecanone

: cyclododecanone thiosemicarbazone'

Conditions

Conditions	Yield
With acetic acid In ethanol for 0.5h; Reflux;	100%
With acetic acid In ethanol for 24h; Reflux;

: 830-13-7
cyclododecanone

: 2-methoxyethyl cyclododec-1-enyl ether

Conditions

Conditions	Yield
With sodium hydroxide; trimethyl orthoformate In 2-methoxy-ethanol	99.8%

: 830-13-7
cyclododecanone

: 106-95-6
allyl bromide

: 18208-71-4
1-(2-propenyl)cyclododecan-1-ol

Conditions

Conditions	Yield
With manganese; chloro-trimethyl-silane; lead(II) chloride In tetrahydrofuran at 25℃; for 0.5h; Product distribution; further times, reagent ratios;	99%
With manganese; chloro-trimethyl-silane; lead(II) chloride In tetrahydrofuran at 25℃; for 0.5h;	99%
Stage #1: allyl bromide With indium; aluminium In tetrahydrofuran at 25℃; for 0.5h; Stage #2: cyclododecanone In tetrahydrofuran at 10℃; for 0.5h; Further stages.;	98%

: 540-63-6
ethane-1,2-dithiol

: 830-13-7
cyclododecanone

: 16775-67-0
1,4-dithiaspiro<4.11>hexadecane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene Heating;	99%
With toluene-4-sulfonic acid In toluene Reflux;	99%
With boron trifluoride diacetate for 0.25h;	95%

: 830-13-7
cyclododecanone

: diethyl (isocyanomethyl)phosphonate

: (isocyanomethylene)cyclododecane

Conditions

Conditions	Yield
In tetrahydrofuran at 0℃; for 2h;	99%

: 67-56-1
methanol

: 830-13-7
cyclododecanone

: 950-33-4
Cyclododecanone dimethoxy acetal

Conditions

Conditions	Yield
With trimethyl orthoformate at 20℃; for 1h;	99%

: 830-13-7
cyclododecanone

: 25015-63-8
4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane

: 2-(cyclododecyloxy)pinacolborane

Conditions

Conditions	Yield
With La(Cp)3 In tetrahydrofuran at 20℃; for 2h; Reagent/catalyst; Inert atmosphere;	99%
With [RhCl2(p-cymene)]2 In benzene at 60℃; for 15h; Inert atmosphere; Glovebox; chemoselective reaction;
With tris(cyclopentadienyl)lanthanum(III) In tetrahydrofuran at 25℃; for 1h; Inert atmosphere; Schlenk technique; Glovebox;
With tris(η5-methylcyclopentadienyl)lanthanum(III) In tetrahydrofuran at 20℃; for 0.166667h; Catalytic behavior; Schlenk technique; Glovebox; Inert atmosphere; chemoselective reaction;	99 %Spectr.
With La(Cp)3 In tetrahydrofuran at 20℃; for 1h; Inert atmosphere;

: 2942-58-7
diethyl cyanophosphonate

: 2408-36-8
lithium cyanide

: 830-13-7
cyclododecanone

: 88151-69-3
1-cyanocyclododecyl diethylphosphate

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 0.0833333h;	99%

...Expand

: 75-77-4
chloro-trimethyl-silane

: 830-13-7
cyclododecanone

: 55314-44-8
[((E)-Cyclododec-1-enyl)oxy]-trimethyl-silane

Conditions

Conditions	Yield
With triethylamine; sodium iodide In acetonitrile; pentane at 20℃; for 12h;	98%
With magnesium In N,N-dimethyl-formamide at 15 - 25℃;	80%
With triethylamine In N,N-dimethyl-formamide at 120℃;

: 830-13-7
cyclododecanone

: 65-45-2
salicylamide

: 77773-97-8
Spiro<2H-1,3-benzoxazine-2,1'-cyclododecan>-4(3H)-one

Conditions

Conditions	Yield
	98%

: 830-13-7
cyclododecanone

: 109-94-4
formic acid ethyl ester

: 949-07-5
(Z)-2-(hydroxymethylidene)cyclododecanone

Conditions

Conditions	Yield
Stage #1: formic acid ethyl ester With potassium tert-butylate In tetrahydrofuran at 0℃; Stage #2: cyclododecanone In tetrahydrofuran at 0 - 20℃;	98%
With sodium methylate In diethyl ether for 12h; Ambient temperature;

: 830-13-7
cyclododecanone

: 60223-10-1
1,1-dichlorocyclododecane

Conditions

Conditions	Yield
With phosphorus pentachloride In benzene at 0 - 20℃; for 28h;	98%

Cyclododecanone Specification

This product is an organic compound with the formula C₁₂H₂₂O. The systematic name of this chemical is Cyclododecanone. It belongs to the product categories of C11 to C12; Carbonyl Compounds; Ketones. Its EINECS number is 212-595-6. With the CAS registry number 830-13-7, it is also named as Cyclododecan-1-one. In addition, the molecular weight is 225.60. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from strong oxidants. It is used as organic synthetic raw material, especially the intermediate of Nylon-12.

Physical properties of Cyclododecanone are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 836.29; (6)ACD/BCF (pH 7.4): 836.29; (7)ACD/KOC (pH 5.5): 4299.57; (8)ACD/KOC (pH 7.4): 4299.57; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 55.47 cm³; (15)Molar Volume: 209.3 cm³; (16)Polarizability: 21.99×10^-24cm³; (17)Surface Tension: 29 dyne/cm; (18)Density: 0.87 g/cm³; (19)Flash Point: 108.8 °C; (20)Enthalpy of Vaporization: 49.9 kJ/mol; (21)Boiling Point: 261.3 °C at 760 mmHg; (22)Vapour Pressure: 0.0116 mmHg at 25°C.

Preparation of Cyclododecanone: this chemical can be prepared by cyclododecanol at the ambient temperature. This reaction will need reagents oxygen, acetaldehyde. This reaction will also need catalysts RuCl₃·nH₂O, Co(OAc)₂·4H₂O. The yield is about 97%.

Cyclododecanone can be prepared by cyclododecanol at the ambient temperature

Uses of Cyclododecanone: it can be used to produce cyclododecylideneacetic acid ethyl ester at the temperature of 20 °C. It will need reagent NaH and solvent tetrahydrofuran with the reaction time of 8 hours. The yield is about 96%.

Cyclododecanone can be used to produce cyclododecylideneacetic acid ethyl ester at the temperature of 20 °C

When you are using this chemical, please be cautious about it as the following:
It is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste. You should avoid releasing it to the environment just refering to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCCCCCCCC1
(2)Std. InChI: InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
(3)Std. InChIKey: SXVPOSFURRDKBO-UHFFFAOYSA-N

Product Name

Cyclododecanone

Synthetic route

Cyclododecanone Specification

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