CAS No.124-18-5,Decane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	124-18-5
Name:	Decane
Article Data:	423

Formula:	C₁₀H₂₂
Molecular Weight:	142.285
Synonyms:	CactusNormal Paraffin N 10;NSC 8781;n-Decane;
EINECS:	204-686-4
Density:	0.735 g/cm³
Melting Point:	-30 °C
Boiling Point:	174.873 °C at 760 mmHg
Flash Point:	46.111 °C
Solubility:	insoluble in water
Appearance:	colourless liquid
Hazard Symbols:	Xn, N, F
Risk Codes:	10-65-66-67-62-51/53-48/20-38-11
Safety:	62-23-16-61-36/37-33-29-9
Transport Information:	UN 2247 3/PG 3
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.

Raw Materials

111-65-9

693-04-9

38841-98-4

112-17-4

2050-77-3

50-00-0

2456-28-2

111-85-3

Downstream Products

142-82-5

106-97-8

112-30-1

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

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.