Decane supplier | CasNO.124-18-5

Name
Decane
EINECS 204-686-4
CAS No. 124-18-5
Article Data423
CAS DataBase
Density 0.735 g/cm³
Solubility insoluble in water
Melting Point -30 °C
Formula C₁₀H₂₂
Boiling Point 174.873 °C at 760 mmHg
Molecular Weight 142.285
Flash Point 46.111 °C
Transport Information UN 2247 3/PG 3
Appearance colourless liquid
Safety 62-23-16-61-36/37-33-29-9
Risk Codes 10-65-66-67-62-51/53-48/20-38-11
Molecular Structure
Hazard Symbols Xn, N, F
Synonyms CactusNormal Paraffin N 10;NSC 8781;n-Decane;
PSA 0.00000
LogP 4.14700

Synthetic route

: 872-05-9
1-Decene

: 124-18-5
decane

Conditions

Conditions	Yield
With {(η6-C6H6)Ru(NCCH3)3}{BF4}2; water; hydrogen In benzene at 90℃; under 30400 Torr; for 4h;	100%
With hydrogen; Rh on carbon at 75℃; under 3040.2 Torr; for 0.35h;	100%
With hydrazine hydrate In ethanol for 24h; Reflux;	100%

: (1-methyl-nonyloxy)-diphenyl-silane

: 124-18-5
decane

Conditions

Conditions	Yield
With indium(III) chloride In dichloromethane-d2 at 20℃;	100%

: 109-66-0
pentane

: 124-18-5
decane

Conditions

Conditions	Yield
With di-tert-butyl peroxide; iodine	100%

: 764-93-2
1-decyne

: 124-18-5
decane

Conditions

Conditions	Yield
With hydrogen In methanol at 20℃; for 18h;	98%
With hydrogen In ethanol at 100℃; under 30003 Torr; Flow reactor; Green chemistry; chemoselective reaction;	67%
With hydrogen In methanol at 20℃; under 5171.62 Torr; for 24h;	98 %Chromat.

: 764-93-2
1-decyne

A: 124-18-5
decane

B: 872-05-9
1-Decene

Conditions

Conditions	Yield
With hydrogen In hexane at 40℃; under 760.051 Torr; for 5h;	A 3% B 97%
With hydrogen; Ni-Gr2 In methanol at 30℃; under 22800 Torr; for 6h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
With hydrogen; ethylenediamine In tetrahydrofuran at 25℃; under 760 Torr;	A 13 % Chromat. B 75 % Chromat.

: 2050-77-3
Iododecane

A: 124-18-5
decane

B: 112-95-8
icosane

Conditions

Conditions	Yield
With tetrabutylammonium tetrafluoroborate In N,N-dimethyl-formamide Electrochemical reaction; Inert atmosphere;	A 1% B 97%
With sodium polystyrylanthracene Product distribution;	A 25% B 4%

: 2050-77-3
Iododecane

: 124-18-5
decane

Conditions

Conditions	Yield
With Li(1+)*C12H28AlO3(1-) In tetrahydrofuran; hexane for 0.0333333h; Ambient temperature;	96%
With LiPyrrBH3 In tetrahydrofuran at 0℃;	92%
With sodium tetrahydroborate In various solvent(s) at 70℃; for 3h;	82%

: 112-29-8
1-bromo dodecane

: 124-18-5
decane

Conditions

Conditions	Yield
With Li(1+)*C12H28AlO3(1-) In tetrahydrofuran; hexane for 0.166667h; Ambient temperature;	95%
With [2-(di-tert-butylphosphinomethyl)-6-(diethylaminomethyl)pyridine]ruthenium(II) chlorocarbonyl hydride; isopropyl alcohol; sodium t-butanolate at 100℃; for 18h; Catalytic behavior; Reagent/catalyst; Temperature; Inert atmosphere; Sealed tube; Green chemistry;	93%
With sodium tetrahydroborate In various solvent(s) at 70℃; for 12h;	82%

: 142-62-1
hexanoic acid

: 124-18-5
decane

Conditions

Conditions	Yield
With sodium methylate In methanol Kolbe Electrolysis; Electrochemical reaction;	95%
With sodium hydroxide at 19.84℃; pH=6.1; Kolbe reaction; Electrochemical reaction;	45 % Spectr.
With sodium methylate In methanol at 40 - 60℃; Electrolysis;

: 4101-68-2
1,10-dibromodecane

: 124-18-5
decane

Conditions

Conditions	Yield
With sodium tetrahydroborate; cetyltributylphosphonium bromide In water; toluene at 18℃; for 5h; Product distribution;	94%
With diethyl ether; sodium
With iron(III) chloride; phenylsilane; sodium methylate In tetrahydrofuran for 6h; Schlenk technique; Inert atmosphere;	61 %Chromat.

: 2050-77-3
Iododecane

A: 124-18-5
decane

B: 112-30-1
1-Decanol

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tributyltin chloride; oxygen; sodium cyanoborohydride In tert-butyl alcohol at 60℃; for 14h; Yields of byproduct given;	A n/a B 93%

: 16355-92-3
1,10-diiododecane

: 124-18-5
decane

Conditions

Conditions	Yield
With nickel In tetrahydrofuran at 20℃; for 6h;	92%
With diethyl ether; magnesium und Zers. des Reaktionsproduktes mit Wasser;

: 351464-82-9
N-Phenoxyundecanamide

: 124-18-5
decane

Conditions

Conditions	Yield
With 4,4'-di-tert-butylbiphenyl; lithium In tetrahydrofuran for 2h; Heating;	92%

: 1942-46-7
5-decyne

: 124-18-5
decane

Conditions

Conditions	Yield
With Triethoxysilane; water; propynoic acid methyl ester; palladium diacetate In tetrahydrofuran for 24h; Ambient temperature;	90%
With methanol; nickel Hydrogenation;
With hydrogen In glycerol at 80℃; under 750.075 Torr; for 2h;	90 %Chromat.
With C5H14NO(1+)C10H12NO4S(1-)Pd; hydrogen In glycerol at 80℃; under 2250.23 Torr; for 2h; Inert atmosphere; Schlenk technique;	96 %Chromat.

: 2050-77-3
Iododecane

: 688-73-3
tri-n-butyl-tin hydride

: 124-18-5
decane

Conditions

Conditions	Yield
In toluene Sonication; ultrasound irradiation of a mixt. of Bu2SnH and 1-iododecane in toluene, 0-6 °C, 1h;;	90%
In toluene react. of a mixt. of Bu3SnH and 1-iododecane in toluene, 0 °C, 1h;;	5%

: 1002-69-3
decyl chloride

: 124-18-5
decane

Conditions

Conditions	Yield
With hydrogen; NiCl2-Li-[poly(2-vinyl-naphthalene)-co-(divinylbenzene)] In tetrahydrofuran at 20℃; under 760.051 Torr; for 2.5h;	89%
With sodium tetrahydroborate In various solvent(s) at 70℃; for 16h;	78%
With naphthalene; hydrogen; lithium; nickel dichloride In tetrahydrofuran at 20℃; under 760.051 Torr; for 2h;	68%

: 334-48-5
1-decanoic acid

: 124-18-5
decane

Conditions

Conditions	Yield
With hydrogen In neat (no solvent) at 180℃; under 6000.6 Torr; for 24h; Catalytic behavior; Autoclave; High pressure;	88%
With hydrogen In hexane at 160℃; under 22502.3 Torr; for 18h; Molecular sieve; chemoselective reaction;	87%
With phosphorus; hydrogen iodide at 210 - 240℃;

: 351464-79-4
N-Methoxyundecanamide

: 124-18-5
decane

Conditions

Conditions	Yield
With 4,4'-di-tert-butylbiphenyl; lithium In tetrahydrofuran for 2h; Heating;	87%

: 71042-21-2
4-methylbenzenesulfonic acid 6-chlorohexyl ester

: 925-90-6
ethylmagnesium bromide

A: 124-18-5
decane

B: 111-85-3
1-Chlorooctane

Conditions

Conditions	Yield
With buta-1,3-diene; nickel dichloride In tetrahydrofuran at 20℃; for 3h;	A 13% B 87%

...Expand

: 17049-50-2
n-decyl magnesium bromide

: 13134-23-1
benzophenone N-methyl-N,N-pentane-1,5-diylhydrazonium iodide

A: 626-67-5
N-methylcyclohexylamine

B: 1013-88-3
Benzophenone imine

C: 124-18-5
decane

D: 112-95-8
icosane

E: 872-05-9
1-Decene

Conditions

Conditions	Yield
In diethyl ether Product distribution; Mechanism; Heating; other quaternary hydrazonium salts, other alkylmagnesium halides;	A 85% B 84% C 51% D 21% E 25%

...Expand

: 2-decyl N-trimethylsilylmethylthionocarbamate

A: 124-18-5
decane

B: 1120-06-5
decan-2-ol

Conditions

Conditions	Yield
With triethylsilane; di-tert-butyl peroxide In benzene at 140℃; Mechanism; Product distribution; or with benzoyl peroxide, or with n-Bu3SnH, other temperature, other thionocarbamates;	A 85% B 3%

: 17049-49-9
octylmagnesium bromide

: 175538-67-7
(Z)-1,2-bis(ethylseleno)ethene

A: 124-18-5
decane

B: 1779-13-1
octadeca-9Z-ene

C: 544-76-3
Hexadecane

Conditions

Conditions	Yield
With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride In diethyl ether at 20℃; for 9h;	A 56 mg B 85% C 115 mg

...Expand

: 105249-97-6
N-Benzyloxyundecanamide

: 124-18-5
decane

Conditions

Conditions	Yield
With 4,4'-di-tert-butylbiphenyl; lithium In tetrahydrofuran for 2h; Heating;	83%

: 872-05-9
1-Decene

: 201230-82-2
carbon monoxide

A: 124-18-5
decane

B: 112-42-5
undecyl alcohol

C: 18675-24-6
2-methyldecan-1-ol

D: 19009-56-4
2-methyldecanal

E: 112-44-7
undecylaldehyde

Conditions

Conditions	Yield
With dodecacarbonyl-triangulo-triruthenium; 2-(dicyclohexylphosphino)-1-methyl-1H-imidazole; water; hydrogen; lithium chloride In 1-methyl-pyrrolidin-2-one at 130℃; under 60 Torr; for 20h; Autoclave; regioselective reaction;	A 6 %Chromat. B 83% C n/a D n/a E n/a

...Expand

: 7289-52-3
1-methoxydecane

: 124-18-5
decane

Conditions

Conditions	Yield
With chloro-trimethyl-silane; acetic acid; sodium iodide; zinc In acetonitrile Product distribution; 1.) 70 - 75 deg C, 1.5 h; 2.) 75 - 85 deg C, 4.5 h; various ethers;	82%

: 5509-08-0
decyl p-toluenesulfonate

: 124-18-5
decane

Conditions

Conditions	Yield
With sodium tetrahydroborate In various solvent(s) at 70℃; for 3h;	82%
With tri-n-butyl-tin hydride; sodium iodide In 1,2-dimethoxyethane at 80℃; for 1h; Heating;	73%

: 111-83-1
1-bromo-octane

: 2386-64-3
ethylmagnesium chloride

: 124-18-5
decane

Conditions

Conditions	Yield
With buta-1,3-diene; copper dichloride In tetrahydrofuran at 50℃; for 12h;	82%
With N,N,N,N,-tetramethylethylenediamine; C34H46Cl4N10Ni2O2 In tetrahydrofuran at 20℃; for 1h; Solvent; Concentration; Inert atmosphere; Schlenk technique;	72 %Chromat.

: 142-62-1
hexanoic acid

A: 124-18-5
decane

B: 109-67-1
1-penten

C: 109-66-0
pentane

D: 109-68-2
2-pentene

Conditions

Conditions	Yield
With potassium hydroxide In water pH=5.4 - 9.4; Concentration; pH-value; Kolbe Electrolysis; Electrochemical reaction;	A 82% B 44% C 30% D 26%
With potassium hydroxide In water pH=5.8 - 9; Kolbe Electrolysis; Electrochemical reaction;	A 39% B 14% C 5% D 7%

...Expand

: 872-05-9
1-Decene

A: 124-18-5
decane

B: 1120-06-5
decan-2-ol

C: 693-54-9
Decan-2-one

Conditions

Conditions	Yield
With oxygen; isopropyl alcohol; bis(trifluoroacetylacetonato)cobalt(II) at 75℃; for 15h;	A 2% B 81% C 13%
With oxygen; isopropyl alcohol; bis(trifluoroacetylacetonato)cobalt(II) at 75℃; for 15h; Product distribution; comparison of yields for oxidation-reduction hydration, catalyzed by variuos Co(II)complexes;	A 2% B 81% C 13%
With oxygen; isopropyl alcohol; bis(dibenzoylmethanato)cobalt(II) at 75℃; for 2h;	A 32% B 52% C 12%
With oxygen; cobalt acetylacetonate In isopropyl alcohol at 75℃; for 1h;	A 22 % Chromat. B 45 % Chromat. C 7 % Chromat.
With oxygen; cobalt acetylacetonate In isopropyl alcohol at 75℃; for 1h; Product distribution;	A 22 % Chromat. B 45 % Chromat. C 7 % Chromat.

...Expand

: 112-30-1
1-Decanol

: 124-18-5
decane

Conditions

Conditions	Yield
With chloro-trimethyl-silane; acetic acid; sodium iodide; zinc In acetonitrile Product distribution; 1.) 30 - 35 deg C, 1.0 h; 2.) 75 - 85 deg C, 6.0 h; various alcohols;	80%
With hydrogen; vanadium(V) oxide; iron at 326.9℃; 1.5E5 Pa; Yield given;
With tetraethylammonium bromide; triphenylphosphine In acetonitrile constant current electrolysis, 25 mA;	94 % Chromat.

p,p'-dicofol: p,p'-dicofol

: 124-18-5
decane

: 115-32-2
Dicofol

: 67-68-5
dimethyl sulfoxide

: 50-29-3
p,p'-DDT

Conditions

Conditions	Yield
In water; chlorobenzene	93.3%
In water; chlorobenzene	92.1%

...Expand

: 1116-76-3
Tri-n-octylamine

: 2-tert-butyl-5-bromo-5-methyl-1,3-dioxolan-4-one

: 124-18-5
decane

: 163921-31-1
2-(1,1-dimethylethyl)-5-methylene-1,3-dioxolan-4-one

Conditions

Conditions	Yield
In cyclohexane	93%

...Expand

Decane Consensus Reports

Reported in EPA TSCA Inventory.

Decane Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

Decane Specification

The Decane is an organic compound with the formula C₁₀H₂₂. The IUPAC name of this chemical is decane. With the CAS registry number 124-18-5, it is also named as Nonane, methyl-. The product's categories are Pharmaceutical Intermediates; Analytical Chemistry; n-Paraffins (GC Standard); Standard Materials for GC; Anhydrous Grade Solvents Solvents; Solvent Bottles; Solvents; Sure/Seal? Bottles; Alpha Sort; D; DA - DH; DAlphabetic; Volatiles/ Semivolatiles; Amber Glass Bottles; ReagentPlus(R) Solvent Grade Products; ReagentPlus(R)Solvents; Alphabetic; DA - DHChemical Class; Hydrocarbons; Neats. Besides, it is colourless liquid, which should be stored in closed and cool place. It is used as a solvent and in organic synthesis.

Physical properties about Decane are: (1)ACD/LogP: 5.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.802; (4)ACD/LogD (pH 7.4): 5.802; (5)ACD/BCF (pH 5.5): 15121.537; (6)ACD/BCF (pH 7.4): 15121.537; (7)ACD/KOC (pH 5.5): 34146.199; (8)ACD/KOC (pH 7.4): 34146.199; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.414; (11)Molar Refractivity: 48.378 cm³; (12)Molar Volume: 193.603 cm³; (13)Polarizability: 19.178×10^-24cm³; (14)Surface Tension: 24.335 dyne/cm; (15)Density: 0.735 g/cm³; (16)Flash Point: 46.111 °C; (17)Enthalpy of Vaporization: 38.75 kJ/mol; (18)Boiling Point: 174.873 °C at 760 mmHg; (19)Vapour Pressure: 1.583 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-chloro-pentane. This reaction will need reagent Ca slurry and solvent tetrahydrofuran. The reaction time is 120 min with reaction temperature of 50 °C. The yield is about 48.2%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and danger of serious damage to health by prolonged exposure through inhalation. If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. Please keep away from sources of ignition - No smoking. Besides, this chemical is irritating to to skin. It is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment and vapours may cause drowsiness and dizziness. When you are using it, wear suitable protective clothing and gloves, do not breathe dust and avoid release to the environment. Refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCC
(2)InChI: InChI=1/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
(3)InChIKey: DIOQZVSQGTUSAI-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
(5)Std. InChIKey: DIOQZVSQGTUSAI-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	72300mg/m3/2H (72300mg/m3)	BEHAVIORAL: ANTIPSYCHOTIC	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(8), Pg. 53, 1982.
mouse	LDLo	intravenous	912mg/kg (912mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.
rat	LC50	inhalation	> 1369ppm/8H (1369ppm)		Pharmacology and Toxicology Vol. 62, Pg. 259, 1988.

Product Name

Decane

Synthetic route

Decane Consensus Reports

Decane Standards and Recommendations

Decane Specification

Related Products

Hot Products