2-Dodecanone supplier | CasNO.6175-49-1

Name
2-Dodecanone
EINECS 228-222-5
CAS No. 6175-49-1
Article Data150
CAS DataBase
Density 0.823 g/cm³
Solubility
Melting Point 17-20 °C
Formula C₁₂H₂₄O
Boiling Point 247.8 °C at 760 mmHg
Molecular Weight 184.322
Flash Point 81.2 °C
Transport Information
Appearance Colorless liquid. Characteristic odor.
Safety 24/25
Risk Codes 51/53
Molecular Structure
Hazard Symbols N
Synonyms Decylmethyl ketone;Methyl decyl ketone;
PSA 17.07000
LogP 4.10620

Synthetic route

: 112-41-4
1-dodecene

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
With air; palladium In ethanol; water at 50℃; for 13h;	99%
With oxygen; sodium acetate; palladium dichloride In [1,3]-dioxolan-2-one; water at 80℃; under 7500.75 Torr; for 12h; Wacker oxidation; Autoclave;	92%
With tetrafluoroboric acid; oxygen; palladium diacetate; p-benzoquinone In N,N-dimethyl acetamide; water; acetonitrile at 20℃; for 16h; regioselective reaction;	86%

: 10203-28-8
rac-2-dodecanol

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
With sodium bromate In acetonitrile for 24h;	99%
Stage #1: rac-2-dodecanol With copper(I) bromide In acetonitrile at 20℃; for 0.05h; Inert atmosphere; Stage #2: With N,N'-di-tert-butyldiaziridinone In acetonitrile at 20℃; for 12h;	99%
With polystyrene-supported(cathecolato)oxoRe cat. activ. by iPrOH; dimethyl sulfoxide In toluene for 3.5h; Heating; Dean-Stark apparatus;	98%

: 2-decyl-2-methyl-1,3-oxathiolane

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
With eosin Y disodium salt In acetonitrile at 20℃; for 3h; Irradiation;	98%

: 21951-49-5
dodec-11-en-2-ol

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
With (BQ‑NCOP)IrHCl; sodium t-butanolate In toluene at 60℃; for 24h; Inert atmosphere; Schlenk technique; Sealed tube;	96%
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; cesium acetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In tetrahydrofuran at 70℃; for 15h; Glovebox; Sealed tube; Inert atmosphere;	70%
With poly(vinylpyridinium chlorochromate); hydrogen; (...CH2PPh2)3RhCl In xylene at 100℃; for 18h;	75 % Chromat.

: 160036-87-3
methoxyethoxymethyl ether of 4-methyl-1-trimethylsilyl-1-tetradecen-4-ol

A: 6175-49-1
dodecan-2-one

B: 251301-43-6
2-decyl-2-methyl-3,6-dihydro-2H-pyran

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane at -78℃; for 0.5h;	A 95% B 5%
With titanium tetrachloride In dichloromethane at -78℃; for 0.05h;	A 95% B 5%

: 78389-73-8
1-iodododecan-2-one

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
With diphosphorus tetraiodide In dichloromethane at 25℃; for 1h;	91%

: 765-03-7
1-dodecyne

: 58377-40-5
tert-butyl N-hydroxy-N-phenylcarbamate

A: 6175-49-1
dodecan-2-one

B: 1448754-87-7
C23H35NO2

Conditions

Conditions	Yield
With [bis(trifluoromethanesulfonyl)imidate](tris(2,4-di-tert-butylphenyl)phosphite)gold(I); zinc trifluoromethanesulfonate In toluene at 60℃; for 2h; Reagent/catalyst; Time;	A 36 %Spectr. B 90%

...Expand

: 2855-19-8
Decyl-oxiran

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
palladium diacetate; tributylphosphine In toluene for 3h; Heating;	88%

: 629-27-6
1-Iodooctane

: 78-94-4
methyl vinyl ketone

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
With pyridine; nickel(II) bromide trihydrate; tetrabutylammomium bromide; tetra-(n-butyl)ammonium iodide In N,N-dimethyl-formamide at 76℃; Electrochemical reaction; Inert atmosphere;	88%
With tetrabutylammonium (cyano)trihydroborate In methanol for 6h; Giese Free Radical Synthesis; Inert atmosphere; Irradiation; chemoselective reaction;	67%

: 66130-89-0
1-bromo-2-dodecanone

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
With diphosphorus tetraiodide In dichloromethane at 25℃; for 5h;	87%

: 56161-61-6
(E)-3-dodecen-2-one

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
With triethyl borane; triphenylstannane In hexane; benzene at 25℃; for 12h;	86%

: 10203-28-8
rac-2-dodecanol

: 107-21-1
ethylene glycol

A: 2-dodecanone ethylene ketal

B: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
With dimethyl sulfoxide; [ReOCl3(PPh3)2] In toluene for 5h; Heating;	A 86% B 5%

...Expand

: endo-tricyclo[6.2.2.02,7]dodec-9-en-3-one

A: tricyclo[6.2.2.02,7 ]dodecan-3-one

B: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
palladium-carbon In methanol	A n/a B 86%

: 17746-05-3
undecanoyl chloride

: 676-58-4
methylmagnesium chloride

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
iron(III)-acetylacetonate In tetrahydrofuran for 0.166667h; Ambient temperature;	84%

: 765-03-7
1-dodecyne

: 100-65-2
N-Phenylhydroxylamine

A: 6175-49-1
dodecan-2-one

B: 1318916-03-8
2-decyl-1H-indole

Conditions

Conditions	Yield
With [bis(trifluoromethanesulfonyl)imidate](tris(2,4-di-tert-butylphenyl)phosphite)gold(I) In 1,2-dichloro-ethane at 20℃; for 18h; Inert atmosphere;	A n/a B 84%

...Expand

: 765-03-7
1-dodecyne

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
With water; sodium tetrachloroaurate dihydrate In methanol for 1h; Heating;	83%
With 2CHF3O3S*C29H35NO6P2Pt; water; sodium dodecyl-sulfate at 80℃; Micellar solution;	82%
With water at 120℃; for 4h;	76%

: 2-decyl-2-methyl-4,5-bis(2-nitrophenyl)[1.3]dioxolane

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
at 20℃; UV-irradiation;	83%

: 1731-84-6
nonanoic acid methyl ester

: [ZnI(N,N,N',N'-tetramethylethylenediamine)]2(μ-CH2)

A: 6175-49-1
dodecan-2-one

B: 54123-72-7
2-methoxy-1-decene

Conditions

Conditions	Yield
With [TiCl3(N,N,N',N'-tetramethylethylenediamine)(thf)] In tetrahydrofuran at 25℃; for 6h; Inert atmosphere;	A 10% B 81%

...Expand

: 17049-50-2
n-decyl magnesium bromide

: 75-36-5
acetyl chloride

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
iron(III)-acetylacetonate In tetrahydrofuran for 0.166667h; Ambient temperature;	80%

: 2855-19-8
Decyl-oxiran

A: 6175-49-1
dodecan-2-one

B: 112-54-9
Dodecanal

C: 1-iodo-2-dodecanol

Conditions

Conditions	Yield
manganese(II) iodide In tetrahydrofuran at 70℃; for 2h;	A 80% B 3% C n/a

...Expand

: 872-05-9
1-Decene

: 2550-26-7
4-Phenyl-2-butanone

A: 100-42-5
styrene

B: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
With 3-methylpyridin-2-ylamine; cyclohexylamine; benzoic acid; Wilkinson's catalyst at 200℃; for 0.5h; microwave irradiation;	A n/a B 79%

...Expand

: 4107-57-7
rac-1-bromododecan-2-ol

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene Ambient temperature; Irradiation;	72%

: 872-05-9
1-Decene

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
	70%

: 112-37-8
undecylenic acid

: 64-19-7
acetic acid

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
manganese(IV) oxide; aluminum oxide Heating;	68%
With thorium dioxide at 400℃;

: 1112990-02-9
1-(4-oxopentyl)heptyl 4-methylbenzoate

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
With tetrabutylammonium tetrafluoroborate In 1-methyl-pyrrolidin-2-one at 130℃; Electrolysis; Inert atmosphere;	64%

: 765-03-7
1-dodecyne

: 536-74-3
phenylacetylene

A: 6175-49-1
dodecan-2-one

B: 98-86-2
acetophenone

Conditions

Conditions	Yield
With methanesulfonic acid; iron(II) chloride tetrahydrate In 1,2-dichloro-ethane at 60℃; for 3h;	A 9% B 64%

...Expand

: 112-41-4
1-dodecene

A: 6175-49-1
dodecan-2-one

B: 112-54-9
Dodecanal

Conditions

Conditions	Yield
With bis(benzonitrile)palladium(II) dichloride; silver(I) nitrite; copper(II) choride dihydrate; nitromethane; Tridecane; oxygen; tert-butyl alcohol at 20℃; under 760.051 Torr; for 6h; Reagent/catalyst; Temperature; Concentration; Wacker Oxidation; Overall yield = 80 %;	A n/a B 63%
With bis(benzonitrile)palladium(II) dichloride; silver(I) nitrite; copper(II) choride dihydrate; oxygen In nitromethane; tert-butyl alcohol at 20℃; under 760.051 Torr; for 6h; Concentration; Pressure; Reagent/catalyst; Time; Overall yield = 80 %;	A n/a B 63%
With bis(benzonitrile)palladium(II) dichloride; copper(II) choride dihydrate; bis(acetonitrile)chloronitropalladium(II); oxygen In nitromethane; tert-butyl alcohol at 20℃; under 760.051 Torr; for 6h; Concentration; Pressure; Reagent/catalyst; Time; Overall yield = 80 %;	A n/a B 21%
With dimethylsulfide borane complex; pyridinium chlorochromate 1.) CH2Cl2, 1 h, RT; 2.) CH2Cl2, reflux, 4 h; Yield given. Multistep reaction. Yields of byproduct given;
With carbon monoxide; rhodium(III) chloride trihydrate; 3C38H79N3O16*C18H15O9PS3; hydrogen In toluene at 85℃; under 37503.8 Torr; for 2h; Autoclave;

: 112-41-4
1-dodecene

O2: O2

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
cetyltrimethylammonim bromide; palladium dichloride In water; benzene at 80℃; under 760 Torr;	62%

: 112-41-4
1-dodecene

A: 6175-49-1
dodecan-2-one

B: 112-44-7
undecylaldehyde

Conditions

Conditions	Yield
With oxygen; 1-butyl-3-methylimidazolium Tetrafluoroborate; copper(l) chloride; palladium dichloride In water at 60℃; for 48h; Wacker oxidation;	A 62% B n/a

: 112-37-8
undecylenic acid

: 917-54-4
methyllithium

: 6175-49-1
dodecan-2-one

Conditions

Conditions	Yield
In diethyl ether 1.) RT, 1h, 2.) reflux, 2.5 h;	58%

: 6175-49-1
dodecan-2-one

: 10203-28-8
rac-2-dodecanol

Conditions

Conditions	Yield
With C15H18BF3; hydrogen; tert-butylimino-tri(pyrrolidino)phosphorane In tetrahydrofuran at 75℃; under 75007.5 Torr; for 20h; Glovebox;	99%
With Cp*Ir(6,6'-dionato-2,2'-bipyridine)(H2O); isopropyl alcohol at 82℃; for 6h; Inert atmosphere; Green chemistry;	93%
With methanol; [pentamethylcyclopentadienyl*Ir(2,2′-bpyO)(OH)][Na] at 66℃; for 12h; Inert atmosphere; Schlenk technique;	78%

: 6175-49-1
dodecan-2-one

: C12H22Br2O

Conditions

Conditions	Yield
With hydrogen bromide; bromine In water Inert atmosphere;	99%

: 695-34-1
2-Amino-4-methylpyridine

: 6175-49-1
dodecan-2-one

: 4-methyl-N-(dodecan-2-yl)pyridine-2-amine

Conditions

Conditions	Yield
With hydrogen; C2F6NO4S2(1-)*C24H52N2P3Ru(1+) In 1,2-dichloro-benzene at 50℃; for 48h;	95%

: 6175-49-1
dodecan-2-one

: perdeuterated dodecan-2-one

Conditions

Conditions	Yield
With water-d2; palladium on activated charcoal at 250℃; for 11h;	93%
With water-d2; palladium on activated charcoal at 250℃; for 11h;

: 6175-49-1
dodecan-2-one

: 616-38-6
carbonic acid dimethyl ester

: 87900-05-8
methyl 3-ketotridecanoate

Conditions

Conditions	Yield
With sodium hydride In toluene at 100℃; for 2h;	93%

: 6175-49-1
dodecan-2-one

: (1RS,2RS)-1,2-bis(2-nitrophenyl)ethane-1,2-diol

: 2-decyl-2-methyl-4,5-bis(2-nitrophenyl)[1.3]dioxolane

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In benzene Heating;	92%

: 6175-49-1
dodecan-2-one

: 133932-47-5
2,2-Difluorododecane

Conditions

Conditions	Yield
With 4-tert-butyl-2,6-dimethylphenylsulfur trifluoride; ethanol In dichloromethane at 20℃; for 24h; Inert atmosphere;	90%
With phenylsulphur trifluoride; pyridine hydrogenfluoride In dichloromethane at 20℃; for 20h; Inert atmosphere;

: 6175-49-1
dodecan-2-one

: C12H27N*(x)ClH

Conditions

Conditions	Yield
Stage #1: dodecan-2-one With ammonium hydroxide; hydrogen at 50℃; under 7500.75 Torr; for 20h; Autoclave; Stage #2: With hydrogenchloride In diethyl ether	88%

: 6175-49-1
dodecan-2-one

: 31729-70-1
bis(iodozinc)methane

: 16435-49-7
2-methyl-dodec-1-ene

Conditions

Conditions	Yield
With thiophene In tetrahydrofuran at 60℃;	86%
With titanium chloride 1.) THF, 20 deg C, 2 h, 2.) THF, 20 deg C, 1 h; Yield given. Multistep reaction;

: 6175-49-1
dodecan-2-one

: 4301-14-8
acetylenemagnesium bromide

: 100912-15-0
3-methyltridec-1-yn-3-ol

Conditions

Conditions	Yield
In tetrahydrofuran at 0 - 20℃; for 0.5h; Inert atmosphere;	86%

: 75-77-4
chloro-trimethyl-silane

: 6175-49-1
dodecan-2-one

: 2-(trimethylsilyloxy)-1-dodecene

Conditions

Conditions	Yield
With n-butyllithium; triethylamine; diisopropylamine In tetrahydrofuran at -78 - 20℃; Inert atmosphere;	82%

2-Dodecanone Specification

The 2-Dodecanone is an organic compound with the formula C₁₂H₂₄O. The IUPAC name of this chemical is dodecan-2-one. With the CAS registry number 6175-49-1, it is also named as Methyl decyl ketone. The product's categories are Methyl decyl ketone. Besides, it is a clear colorless to light yellow liquid, which should be stored in a cool and dry place. When you are using it, avoid contact with skin and eyes.

Physical properties about 2-Dodecanone are: (1)ACD/LogP: 4.63; (2)ACD/LogD (pH 5.5): 4.62; (3)ACD/LogD (pH 7.4): 4.62; (4)ACD/BCF (pH 5.5): 1926.97; (5)ACD/BCF (pH 7.4): 1926.97; (6)ACD/KOC (pH 5.5): 7814.66; (7)ACD/KOC (pH 7.4): 7814.66; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.428; (12)Molar Refractivity: 57.67 cm³; (13)Molar Volume: 223.7 cm³; (14)Polarizability: 22.86×10^-24cm³; (15)Surface Tension: 27.9 dyne/cm; (16)Density: 0.823 g/cm³; (17)Flash Point: 81.2 °C; (18)Enthalpy of Vaporization: 46.53 kJ/mol; (19)Boiling Point: 247.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0396 mmHg at 25°C.

Preparation: this chemical can be prepared by dodec-1-ene. This reaction will need reagent Et₃SiOOH, catalyst Co(modp)₂ and solvent 1,2-dichloro-ethane. The reaction time is 16 hours with reaction temperature of 20 °C. The yield is about 73%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CCCCCCCCCC)C
(2)InChI: InChI=1/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3
(3)InChIKey: LSKONYYRONEBKA-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3
(5)Std. InChIKey: LSKONYYRONEBKA-UHFFFAOYSA-N

Product Name

2-Dodecanone

Synthetic route

2-Dodecanone Specification

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