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74-98-6

Basic Information
CAS No.: 74-98-6
Name: Propane
Molecular Structure:
Molecular Structure of 74-98-6 (Propane)
Formula: C3H8
Molecular Weight: 44.11
Synonyms: n-Propane;Dimethylmethane;HC 290;LPG;Liquefied petroleum gas;Propyl hydride;Purifrigor P 2;Purifrigor P 3;R 280;
EINECS: 200-827-9
Density: 0.565 g/cm3
Melting Point: -188 °C(lit.)
Boiling Point: -42.1 °C
Flash Point: -104 °C
Solubility:
Appearance: colourless odourless gas
Hazard Symbols: HighlyF+
Risk Codes: 12
Safety: 9-16
Transport Information: UN 1978 2.1
PSA: 0.00000
LogP: 1.41630
Synthetic route
74-98-6

propane

Conditions
ConditionsYield
With para-hydrogen under 5414.51 Torr; Flow reactor;100%
With hydrogen; nickel at 40℃; Thermodynamic data; Ea, various catalysts;
With hydrogen at 151.9 - 326.9℃; under 100 Torr; Kinetics; Ir(1.1.1)-surface; pc-C3H6 2.0 torr; kapp0, Eapp;
201230-82-2

carbon monoxide

A

34557-54-5

methane

B

74-84-0

ethane

C

74-98-6

propane

D

124-38-9

carbon dioxide

E

water

water

Conditions
ConditionsYield
With hydrogen; nickel at 329.9℃; nickel powder, prepared by evaporation-condensation; Yields of byproduct given;A 98%
B n/a
C n/a
D n/a
E n/a
998-30-1

Triethoxysilane

A

74-98-6

propane

B

2550-04-1

allyltriethoxysilane

Conditions
ConditionsYield
With DIP-Co catalysts at 23℃; Reagent/catalyst; Inert atmosphere; Glovebox;A n/a
B 98%

tris(cyclopentadienyl)thoriumisopropyl

A

187737-37-7

propene

B

74-98-6

propane

Conditions
ConditionsYield
In benzene-d6 Kinetics; thermolysis at 167 +/- 1°C;A <2
B 97%
In benzene Irradiation (UV/VIS); photolysis in a frozen benzene soln.;
56-23-5

tetrachloromethane

628-85-3

di-n-propylmercury

A

187737-37-7

propene

B

74-98-6

propane

C

mercury

Conditions
ConditionsYield
In neat (no solvent) 150°C, 60 h; further products;A 91%
B 5%
C 95%
56-23-5

tetrachloromethane

1071-39-2

diisopropylmercury

A

74-98-6

propane

B

75-29-6

isopropyl chloride

C

67-66-3

chloroform

D

30615-19-1

isopropylmercury(II) chloride

E

mercury

Conditions
ConditionsYield
In neat (no solvent) 20°C, 96 h; further products;A 4%
B 48%
C 30%
D 95%
E 5%
617-86-7

triethylsilane

625-54-7

2-butyl ethyl ether

A

74-98-6

propane

B

597-67-1

ethoxytriethylsilane

Conditions
ConditionsYield
nickel at 100 - 120℃; for 1h;A n/a
B 90%
617-86-7

triethylsilane

1860-27-1

butyl isopropyl ether

A

74-98-6

propane

B

2751-87-3

n-butoxytriethylsilane

Conditions
ConditionsYield
nickel at 100 - 120℃; for 1h;A n/a
B 90%
75-26-3

isopropyl bromide

74-98-6

propane

Conditions
ConditionsYield
With triethylamine In water at 20℃; for 2h; Inert atmosphere; Irradiation;90%
Co(BF4)2(bipy)n Product distribution; Electrochemical reaction;

lanthanum dicarbide

A

34557-54-5

methane

B

74-84-0

ethane

C

74-98-6

propane

D

74-85-1

ethene

E

74-86-2

acetylene

Conditions
ConditionsYield
In neat (no solvent) hydrolysis in water vapor (11.0E2 Nm**2);A 0.24%
B 6.77%
C 0.14%
D 2.54%
E 89.5%
27303-69-1

tris(η3-allyl)chromium

A

74-98-6

propane

B

7440-47-3

chromium

Conditions
ConditionsYield
With hydrogen In further solvent(s) High Pressure; in perhydrocumol at 100 at;;A 89%
B n/a
With H2 In further solvent(s) High Pressure; in perhydrocumol at 100 at;;A 89%
B n/a
4346-18-3

phenyl butanoate

A

53729-69-4, 21329-67-9

HCo(CO)(P(C6H5)3)3

B

91583-66-3

phenoxotris(triphenylphosphine)cobalt(I)

C

74-98-6

propane

D

109-21-7

butyl butyrate

E

7727-37-9

nitrogen

Conditions
ConditionsYield
In toluene byproducts: H2; n-PrCO2Ph added to CoH(N2)(PPh3)3 in toluene in vac., reacted for 1 day at room temp.; liquid phase analysed by GLC; hexane added, ppt. filtered, washed with hexane, dried in vac., recrystd. from C6H6-hexane;A n/a
B 60%
C 12%
D 38%
E 89%
67-56-1

methanol

A

187737-37-7

propene

B

34557-54-5

methane

C

74-84-0

ethane

D

74-98-6

propane

E

74-85-1

ethene

F

106-97-8

n-butane

Conditions
ConditionsYield
Ni-SAPO-34 at 450℃; under 760 Torr; for 1h; Product distribution; var. temp.;A 5.26%
B 1.5%
C 1.02%
D 0.15%
E 88.04%
F 0.03%
molecular sieve In gas at 300℃; Product distribution; other temperatures; other products;
With hydrogen; proton-type ZSM-5 at 330℃; under 1050.11 Torr; Product distribution / selectivity; Gas phase;
463-82-1

2,2-dimethylpropane

A

34557-54-5

methane

B

74-84-0

ethane

C

74-98-6

propane

D

75-28-5

Isobutane

E

78-78-4

methylbutane

Conditions
ConditionsYield
With hydrogen; platinum at 243℃; Product distribution; further reaction temperatures, catalysts;A 2.7%
B 1.5%
C 1.5%
D 6.7%
E 87.8%
at 304℃; Product distribution; also from n-butane, other products,other temperatures, other catalysts;A 7%
B 1.7%
C 2.4%
D 15.6%
E 73.3%
With hydrogen; NaY-500; palladium at 216℃; Product distribution; Kinetics; Thermodynamic data; other catalysts, other temperatures; activation energies;
With hydrogen In neat (no solvent) at 275℃; under 1225.5 Torr; Reagent/catalyst; Inert atmosphere;
56-81-5

glycerol

A

71-23-8

propan-1-ol

B

74-98-6

propane

Conditions
ConditionsYield
With hydrogen In 1,4-dioxane at 159.84℃; under 60006 Torr; for 24h; Autoclave;A 87%
B 9%
With [Ru(OH2)3(4'-phenyl-2,2':6',2''-terpy)](OTf)2; hydrogen; ortho-tungstic acid In water at 250℃; under 41254.1 Torr; for 24h;A 39 %Chromat.
B 52 %Chromat.
With hydrogen In water at 200℃; under 18751.9 Torr; for 16h; Autoclave;

{1,2-bis(diphenylphosphino)ethane}(butane-1,4-diyl)palladium

A

106-98-9

1-butylene

B

590-18-1

(Z)-2-Butene

C

624-64-6

trans-2-Butene

D

74-98-6

propane

E

74-85-1

ethene

Conditions
ConditionsYield
In toluene thermal decompn. at 60°C (15 h); further product: cyclobutane;A 85.9%
B 3.4%
C 3.6%
D 1%
E 5.7%
In toluene thermal decompn. at 95°C (15 h); further product: cyclobutane;A 58.7%
B 2.5%
C 2.5%
D 1%
E 36.3%
3531-43-9

tetraisobutyl stannane

A

74-98-6

propane

B

75-28-5

Isobutane

C

115-11-7

isobutene

D

106-97-8

n-butane

Conditions
ConditionsYield
With hydrogen byproducts: C5 hydrocarbons, paraffin; 20 h, 300-310°C, 100 atm;A 1.6%
B 85.7%
C 2.5%
D 3.1%
With H2 byproducts: C5 hydrocarbons, paraffin; 20 h, 300-310°C, 100 atm;A 1.6%
B 85.7%
C 2.5%
D 3.1%
107-18-6

allyl alcohol

A

187737-37-7

propene

B

74-98-6

propane

Conditions
ConditionsYield
With methanol; toluene-4-sulfonic acid at 25℃; for 12h; Time; Sealed tube; Inert atmosphere; UV-irradiation;A 85%
B 11%
With methanol; 5% Pd/TiO2; toluene-4-sulfonic acid at 25℃; for 12h; Inert atmosphere; UV-irradiation;
201230-82-2

carbon monoxide

A

187737-37-7

propene

B

34557-54-5

methane

C

74-84-0

ethane

D

74-98-6

propane

Conditions
ConditionsYield
With hydrogen; nickel at 473℃; under 159.8 Torr;A 8%
B 84%
C 4%
D 4%
With hydrogen; cobalt-manganese oxide at 190℃; under 4500.4 Torr; Further byproducts given. Yields of byproduct given;
With hydrogen; TiC Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;
106-97-8

n-butane

A

187737-37-7

propene

B

34557-54-5

methane

C

74-84-0

ethane

D

74-98-6

propane

E

74-85-1

ethene

Conditions
ConditionsYield
at 570 - 630℃; Kinetics;A 68%
B 83%
C 20%
D 4%
E 30%
ferrerite zeolite at 650℃;
106-31-0

butanoic acid anhydride

A

99668-71-0

Co(OCO-n-C3H7)

B

74-98-6

propane

C

109-21-7

butyl butyrate

D

7727-37-9

nitrogen

E

1333-74-0

hydrogen

Conditions
ConditionsYield
In toluene in toluene at room temp. for 1 day;A n/a
B 16%
C 30%
D 81%
E 13%
74-96-4

ethyl bromide

31387-22-1

dimethylnickel{1,2-bis(diphenylphosphino)ethane}

A

14647-21-3

dibromo[1,2-bis(diphenylphosphino)ethane]nickel(II)

B

34557-54-5

methane

C

74-84-0

ethane

D

74-98-6

propane

E

74-85-1

ethene

Conditions
ConditionsYield
In toluene EtBr added into toluene soln. of Ni complex, stirred at 35°C for48 h; evapd. in vac., crystd. from Et2O-hexane; GLC anal.;A 48%
B 78%
C 70%
D 10%
E 33%
67-66-3

chloroform

2386-64-3

ethylmagnesium chloride

A

74-98-6

propane

B

617-78-7

3-ethylpentane

C

109-66-0

pentane

Conditions
ConditionsYield
With C31H37ClN3NiO2(1-)*Li(1+) In tetrahydrofuran at 25℃; for 0.333333h; Inert atmosphere; Overall yield = 93.4 %;A 6%
B 9.4%
C 78%
With C31H37ClFeN3O2 In tetrahydrofuran at 25℃; for 0.0833333h; Inert atmosphere;
106-31-0

butanoic acid anhydride

(PPh3)3CoCH3

A

99668-71-0

Co(OCO-n-C3H7)

B

187737-37-7

propene

C

34557-54-5

methane

D

74-98-6

propane

E

107-87-9

2-Pentanone

Conditions
ConditionsYield
In tetrahydrofuran in THF at -40-20°C;A n/a
B 7%
C 6%
D 2%
E 76%
201230-82-2

carbon monoxide

A

34557-54-5

methane

B

74-84-0

ethane

C

74-98-6

propane

Conditions
ConditionsYield
With hydrogen; Ni-B(P-1) at 473℃; under 159.8 Torr;A 75%
B 17%
C 8%
With hydrogen; technetium at 240℃; Product distribution; Thermodynamic data; E(a); other supporting materials of the technetium catalyst; var. temperatures;A 81.0 % Chromat.
B 17.9 % Chromat.
C 1.1 % Chromat.
With hydrogen at 210.3℃; under 3723.56 Torr; Product distribution / selectivity;

cis-methyldiethyl(triphenylphosphine)gold(III)

A

34557-54-5

methane

B

74-84-0

ethane

C

74-98-6

propane

D

106-97-8

n-butane

Conditions
ConditionsYield
With sulfuric acid In not given acidolysis with H2SO4 (residue not identified);A 74.5%
B 16.3%
C 21%
D 72.3%
34557-54-5

methane

A

74-98-6

propane

B

1333-74-0

hydrogen

Conditions
ConditionsYield
for 16h; Product distribution / selectivity; γ-Irradiation; 25 psig;A 74%
B n/a
556-56-9

allyl iodid

12103-40-1

ReH7*2P(C6H5)3=ReH7(P(C6H5)3)2

A

74-98-6

propane

B

85335-13-3

2(C6H5)3PC3H5(1+)*ReI6(2-)=((C6H5)3PC3H5)2ReI6

Conditions
ConditionsYield
In tetrahydrofuran byproducts: H2, propene; under N2, allyl iodide was reacted with Re-complex with stirring in THFat room temp. for 3 h; filtered, washed with THF and Et2O, recrystd. from CH2Cl2-THF; elem. anal.;A <1
B 74%

cis-methyldiethyl(triphenylphosphine)gold(III)

A

74-98-6

propane

B

106-97-8

n-butane

Conditions
ConditionsYield
In solid thermolysis at 110°C to propane, n-butane and an unidentified residue;A 22.3%
B 72.2%
60542-85-0, 81131-93-3

trans-NiMe2(triethylphosphine)2

106-94-5

propyl bromide

69460-30-6, 19224-77-2

trans-dibromobis(triethylphosphine)nickel(II)

B

187737-37-7

propene

C

34557-54-5

methane

D

74-84-0

ethane

E

74-98-6

propane

Conditions
ConditionsYield
In toluene propyl bromide added into toluene soln. of NiMe2(PEt3)2, stirred at room temp. for 12 h; evapd. in vac., crystd. from Et2O-hexane; GLC anal.;A 71%
B 127 %
C 115 %
D 46%
E 35%
34021-33-5

rhenium trioxide ion

74-98-6

propane

rhenium dioxide propylene

Conditions
ConditionsYield
In gas byproducts: H2O; in gaseous phase; ion cyclotron resonance;100%
111496-23-2

LaFe(1+)

74-98-6

propane

A

LaFeC3H6(1+)

B

1333-74-0

hydrogen

Conditions
ConditionsYield
In gas reaction in a mass spectrometer; sample pressure 4E-7 Torr;A 100%
B 100%
71798-60-2

rhenium dioxide ion

74-98-6

propane

rheniumoxopropylene

Conditions
ConditionsYield
In gas byproducts: H2O; in gaseous phase; ion cyclotron resonance;100%
74-98-6

propane

134161-52-7

dirhenium ion

dirhenium benzene ion

Conditions
ConditionsYield
In gas in gaseous phase; ion cyclotron resonance;100%
74-98-6

propane

201230-82-2

carbon monoxide

10557-71-8

4-chlorophenyltrimethylsilane

18713-58-1

1-(4-chlorophenyl)-2-methylpropan-1-one

Conditions
ConditionsYield
With aluminum tri-bromide; carbon tetrabromide In various solvent(s) at 0℃; for 0.5h;97%
74-98-6

propane

75-26-3

isopropyl bromide

Conditions
ConditionsYield
With 2AlBr3*CBr4; bromine at -20℃; for 3h;96%
With antimony pentafluoride; 1,2-dibromomethane 1.) -78 deg C, 2 h, 2.) RT, 24 h;64%
With 2AlBr3*CBr4; bromine In various solvent(s) at -20℃; for 3h;48 % Turnov.
74-98-6

propane

41891-16-1

N-propyl-carbamic acid chloride

110-78-1

Propyl isocyanate

Conditions
ConditionsYield
In 5,5-dimethyl-1,3-cyclohexadiene95%
74-98-6

propane

717139-15-6, 547695-25-0

[(η3-[2.1.1]-2,6-pyridinophane)Pt(IV)HMe2]B[3,5-(CF3)2C6H3]4

566200-10-0, 566933-21-9

[Pt(η2-C3H6)H(η3-[2.1.1]-(2,6)-pyridinophane)] tetrakis[3,5-bis(trifluoromethyl)phenyl]borate

Conditions
ConditionsYield
In dichloromethane Kinetics; byproducts: CH4; by a react. of propane (3 M) with Pt-contg. compd. at room temp. in CH2Cl2 soln. for 8 h; NMR studies; two diastereomers;95%
74-98-6

propane

363-72-4

Pentafluorobenzene

52144-70-4

Pentafluor(isopropyl)benzol

Conditions
ConditionsYield
With aluminum tri-bromide; carbon tetrabromide In various solvent(s) at 0℃; for 1.5h;94%
With aluminum tri-bromide; carbon tetrabromide at 0℃; for 1.5h; Mechanism;
74-98-6

propane

A

187737-37-7

propene

B

34557-54-5

methane

C

74-84-0

ethane

D

74-85-1

ethene

Conditions
ConditionsYield
With chromium(III) oxide; carbon dioxide at 549.9℃; Product distribution; other supporting materials for Cr2O3; also in the absence of CO2;A 91.3%
B 6.4%
C 0.7%
D 1.6%
at 500 - 600℃; Kinetics;A 46%
B 55%
C 7%
D 47%
With hydrogen-permeable palladium module and chromia-alumina catalyst (9.0 wt % Cr) at 550℃; Temperature;A 30%
B n/a
C n/a
D n/a

rhenium ion

74-98-6

propane

A

rhenium propylene ion

B

474654-47-2

rhenium benzene ion

Conditions
ConditionsYield
In gas in gaseous phase; ion cyclotron resonance;A 10%
B 90%
74-84-0

ethane

74-98-6

propane

79-10-7

acrylic acid

Conditions
ConditionsYield
With oxygen; multimetal oxide catalyst at 274 - 316℃; Gas phase;86.1%
74-98-6

propane

74-85-1

ethene

79-10-7

acrylic acid

Conditions
ConditionsYield
With oxygen; multimetal oxide catalyst at 274 - 316℃; Gas phase;86.1%
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    Propane CAS 74-98-6

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    Propane

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  • Propane

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    74-98-6

    Propane

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*Required Fields

Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

OSHA PEL: TWA 1000 ppm
DFG MAK: 1000 ppm (1800 mg/m3)
DOT Classification:  2.1; Label: Flammable Gas

Specification

This product is an organic compound with the formula C3H8. The systematic name of this chemical is Propane. It belongs to the product categories of Refrigerants; Organics; Burners; Labware; Chemical Synthesis; Compressed and Liquefied Gases; Synthetic Reagents. Its EINECS number is 200-827-9. With the CAS registry number 74-98-6, it is also named as Dimethylmethane. In addition, the molecular weight is 44.11. Its classification codes are: (1)Aerosol propellant; (2)Aerosol propellants; (3)Agricultural Chemical; (4)Herbicide. It should be stored in the cylinder outfit which is placed in a cool place. Moreover, it should be protected from heat and fire. It is commonly used as a fuel for engines, oxy-gas torches, barbecues, portable stoves and residential central heating. It is also used as refrigerant. Besides, it is mainly used as raw material in the production of ethylene and propylene by cracking, as deasphalting reagent in refinery and as solvent in desulfurization. 

Physical properties of Propane are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.236; (4)ACD/LogD (pH 7.4): 2.236; (5)ACD/BCF (pH 5.5): 29.452; (6)ACD/BCF (pH 7.4): 29.452; (7)ACD/KOC (pH 5.5): 391.926; (8)ACD/KOC (pH 7.4): 391.926; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)Index of Refraction: 1.331; (12)Molar Refractivity: 15.947 cm3; (13)Molar Volume: 78.056 cm3; (14)Polarizability: 6.322×10-24cm3; (15)Surface Tension: 14.195 dyne/cm; (16)Density: 0.565 g/cm3; (17)Enthalpy of Vaporization: 19.04 kJ/mol; (18)Vapour Pressure: 7271.002 mmHg at 25°C.

Preparation: this chemical can be prepared by ethane at the temperature of 500 - 650 °C. This reaction will need reagent CO2. This reaction will also need catalyst Cr/SO4(2-)-SiO2. The yield is about 55.2%.

Propane can be prepared by ethane at the temperature of 500 - 650 °C

Uses of Propane: it can be used to produce 2-bromo-propane at the temperature of -20 °C. It will need reagent Br2, CBr4·2AlBr3 with the reaction time of 3 hours. The yield is about 96%.

Propane can be used to produce 2-bromo-propane at the temperature of -20 °C

When you are using this chemical, please be cautious about it as the following:
It is extremely flammable, so you should keep it away from sources of ignition - No smoking. You should keep the container in a well-ventilated place.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC
(2)Std. InChI: InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
(3)Std. InChIKey: ATUOYWHBWRKTHZ-UHFFFAOYSA-N